Product OPENEYE NAME: (E)-benzylidene-[3-(benzylideneamino)-4-oxo-2-styryl-quinazolin-7-yl]ammonium
CAS Name: (E)-[4-oxo-2-(2-phenylethenyl)-3-[(phenylmethylene)amino]-7-quinazolinyl]-(phenylmethylene)ammonium
IUPAC NAME: (E)-benzylidene-[3-(benzylideneamino)-4-oxo-2-(2-phenylethenyl)quinazolin-7-yl]azanium
SYSTEMATIC NAME: (E)-[4-oxidanylidene-2-(2-phenylethenyl)-3-[(phenylmethylidene)amino]quinazolin-7-yl]-(phenylmethylidene)azanium
MOLECULAR FORMULA: C30H23N4O+
MOLECULAR WEIGHT: 455.52982
SMILES: C1=CC=C(C=C1)C=CC2=NC3=C(C=CC(=C3)/[NH+]=C/C4=CC=CC=C4)C(=O)N2N=CC5=CC=CC=C5
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Product OPENEYE NAME: (Z)-[(2-ethylidenehydrazino)-methylsulfanyl-methylene]-phenyl-ammonium
CAS Name: (Z)-[(2-ethylidenehydrazinyl)-(methylthio)methylidene]-phenylammonium
IUPAC NAME: (Z)-[(2-ethylidenehydrazinyl)-methylsulfanylmethylidene]-phenylazanium
SYSTEMATIC NAME: (Z)-[(2-ethylidenehydrazinyl)-methylsulfanyl-methylidene]-phenyl-azanium
MOLECULAR FORMULA: C10H14N3S+
MOLECULAR WEIGHT: 208.30326
SMILES: CC=NN/C(=[NH+]/C1=CC=CC=C1)/SC
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Product OPENEYE NAME: (Z)-3-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-4-hydroxy-pent-3-en-2-one
CAS Name: (Z)-3-[[5-(4-fluorophenyl)-4-thieno[2,3-d]pyrimidinyl]thio]-4-hydroxy-3-penten-2-one
IUPAC NAME: (Z)-3-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-4-hydroxypent-3-en-2-one
SYSTEMATIC NAME: (Z)-3-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-4-oxidanyl-pent-3-en-2-one
MOLECULAR FORMULA: C17H13FN2O2S2
MOLECULAR WEIGHT: 360.425723
SMILES: C/C(=C(\C(=O)C)/SC1=NC=NC2=C1C(=CS2)C3=CC=C(C=C3)F)/O
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Product OPENEYE NAME: (Z)-[4-(2-methyl-5-oxo-4-propyl-tetrahydrofuran-2-yl)-3H-thiazol-2-ylidene]-[2-[[4-(2-methyl-5-oxo-4-propyl-tetrahydrofuran-2-yl)-3H-thiazol-2-ylidene]ammonio]ethyl]ammonium
CAS Name: (Z)-[4-(2-methyl-5-oxo-4-propyl-2-oxolanyl)-3H-thiazol-2-ylidene]-[2-[[4-(2-methyl-5-oxo-4-propyl-2-oxolanyl)-3H-thiazol-2-ylidene]ammonio]ethyl]ammonium
IUPAC NAME: (Z)-[4-(2-methyl-5-oxo-4-propyloxolan-2-yl)-3H-1,3-thiazol-2-ylidene]-[2-[[4-(2-methyl-5-oxo-4-propyloxolan-2-yl)-3H-1,3-thiazol-2-ylidene]azaniumyl]ethyl]azanium
SYSTEMATIC NAME: (Z)-[4-(2-methyl-5-oxidanylidene-4-propyl-oxolan-2-yl)-3H-1,3-thiazol-2-ylidene]-[2-[[4-(2-methyl-5-oxidanylidene-4-propyl-oxolan-2-yl)-3H-1,3-thiazol-2-ylidene]azaniumyl]ethyl]azanium
MOLECULAR FORMULA: C24H36N4O4S2+2
MOLECULAR WEIGHT: 508.69704
SMILES: CCCC1CC(OC1=O)(C)C2=CS/C(=[NH+]/CC/[NH+]=C\3/NC(=CS3)C4(CC(C(=O)O4)CCC)C)/N2
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Product OPENEYE NAME: (E)-[3-(4-chlorophenyl)-3-(4-fluoroanilino)prop-2-enylidene]-(4-fluorophenyl)ammonium
CAS Name: (E)-[3-(4-chlorophenyl)-3-(4-fluoroanilino)prop-2-enylidene]-(4-fluorophenyl)ammonium
IUPAC NAME: (E)-[3-(4-chlorophenyl)-3-(4-fluoroanilino)prop-2-enylidene]-(4-fluorophenyl)azanium
SYSTEMATIC NAME: (E)-[3-(4-chlorophenyl)-3-[(4-fluorophenyl)amino]prop-2-enylidene]-(4-fluorophenyl)azanium
MOLECULAR FORMULA: C21H16ClF2N2+
MOLECULAR WEIGHT: 369.814946
SMILES: C1=CC(=CC=C1C(=C/C=[NH+]/C2=CC=C(C=C2)F)NC3=CC=C(C=C3)F)Cl
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Product OPENEYE NAME: 2-[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]azobenzoic acid; copper
CAS Name: 2-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]azobenzoic acid; copper
IUPAC NAME: 2-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]diazenyl]benzoic acid; copper
SYSTEMATIC NAME: 2-[[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]diazenyl]benzoic acid; copper
MOLECULAR FORMULA: C36H38Cl4CuN6O4
MOLECULAR WEIGHT: 824.08272
SMILES: CC1=C(C=CC(=C1)N(CCCl)CCCl)N=NC2=CC=CC=C2C(=O)O.CC1=C(C=CC(=C1)N(CCCl)CCCl)N=NC2=CC=CC=C2C(=O)O.[Cu]
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Product OPENEYE NAME: 3-[(2,6-difluorophenyl)methyleneamino]-4-phenyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]thiazol-2-imine
CAS Name: 3-[(2,6-difluorophenyl)methylideneamino]-N-[[(2S)-2-oxolanyl]methyl]-4-phenyl-2-thiazolimine
IUPAC NAME: 3-[(2,6-difluorophenyl)methylideneamino]-N-[[(2S)-oxolan-2-yl]methyl]-4-phenyl-1,3-thiazol-2-imine
SYSTEMATIC NAME: 3-[[2,6-bis(fluoranyl)phenyl]methylideneamino]-N-[[(2S)-oxolan-2-yl]methyl]-4-phenyl-1,3-thiazol-2-imine
MOLECULAR FORMULA: C21H19F2N3OS
MOLECULAR WEIGHT: 399.456866
SMILES: C1C[C@H](OC1)CN=C2N(C(=CS2)C3=CC=CC=C3)N=CC4=C(C=CC=C4F)F
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Product OPENEYE NAME: 3-[(2,6-difluorophenyl)methyleneamino]-4-phenyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]thiazol-2-imine
CAS Name: 3-[(2,6-difluorophenyl)methylideneamino]-N-[[(2R)-2-oxolanyl]methyl]-4-phenyl-2-thiazolimine
IUPAC NAME: 3-[(2,6-difluorophenyl)methylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]-4-phenyl-1,3-thiazol-2-imine
SYSTEMATIC NAME: 3-[[2,6-bis(fluoranyl)phenyl]methylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]-4-phenyl-1,3-thiazol-2-imine
MOLECULAR FORMULA: C21H19F2N3OS
MOLECULAR WEIGHT: 399.456866
SMILES: C1C[C@@H](OC1)CN=C2N(C(=CS2)C3=CC=CC=C3)N=CC4=C(C=CC=C4F)F
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Product OPENEYE NAME: N-ethyl-4-(2-fluorophenyl)-3-[(2,4,6-trimethoxyphenyl)methyleneamino]thiazol-2-imine
CAS Name: N-ethyl-4-(2-fluorophenyl)-3-[(2,4,6-trimethoxyphenyl)methylideneamino]-2-thiazolimine
IUPAC NAME: N-ethyl-4-(2-fluorophenyl)-3-[(2,4,6-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
SYSTEMATIC NAME: N-ethyl-4-(2-fluorophenyl)-3-[(2,4,6-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
MOLECULAR FORMULA: C21H22FN3O3S
MOLECULAR WEIGHT: 415.481083
SMILES: CCN=C1N(C(=CS1)C2=CC=CC=C2F)N=CC3=C(C=C(C=C3OC)OC)OC
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Product OPENEYE NAME: 5-[3-[(2-chloro-6-fluoro-phenyl)methyleneamino]-2-methylimino-thiazol-4-yl]-2-hydroxy-benzamide
CAS Name: 5-[3-[(2-chloro-6-fluorophenyl)methylideneamino]-2-methylimino-4-thiazolyl]-2-hydroxybenzamide
IUPAC NAME: 5-[3-[(2-chloro-6-fluorophenyl)methylideneamino]-2-methylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide
SYSTEMATIC NAME: 5-[3-[(2-chloranyl-6-fluoranyl-phenyl)methylideneamino]-2-methylimino-1,3-thiazol-4-yl]-2-oxidanyl-benzamide
MOLECULAR FORMULA: C18H14ClFN4O2S
MOLECULAR WEIGHT: 404.845763
SMILES: CN=C1N(C(=CS1)C2=CC(=C(C=C2)O)C(=O)N)N=CC3=C(C=CC=C3Cl)F
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Product OPENEYE NAME: 3-[(2,6-difluorophenyl)methyleneamino]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-thiazol-2-imine
CAS Name: 3-[(2,6-difluorophenyl)methylideneamino]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-2-thiazolimine
IUPAC NAME: 3-[(2,6-difluorophenyl)methylideneamino]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-1,3-thiazol-2-imine
SYSTEMATIC NAME: 3-[[2,6-bis(fluoranyl)phenyl]methylideneamino]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-1,3-thiazol-2-imine
MOLECULAR FORMULA: C19H15F2N3O2S
MOLECULAR WEIGHT: 387.403106
SMILES: CN=C1N(C(=CS1)C2=CC3=C(C=C2)OCCO3)N=CC4=C(C=CC=C4F)F
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Product OPENEYE NAME: 3-[(2-chloro-6-fluoro-phenyl)methyleneamino]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-thiazol-2-imine
CAS Name: 3-[(2-chloro-6-fluorophenyl)methylideneamino]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-2-thiazolimine
IUPAC NAME: 3-[(2-chloro-6-fluorophenyl)methylideneamino]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-1,3-thiazol-2-imine
SYSTEMATIC NAME: 3-[(2-chloranyl-6-fluoranyl-phenyl)methylideneamino]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-1,3-thiazol-2-imine
MOLECULAR FORMULA: C19H15ClFN3O2S
MOLECULAR WEIGHT: 403.857703
SMILES: CN=C1N(C(=CS1)C2=CC3=C(C=C2)OCCO3)N=CC4=C(C=CC=C4Cl)F
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Product OPENEYE NAME: 3-[(2,6-difluorophenyl)methyleneamino]-N-(2-methoxyethyl)-4-phenyl-thiazol-2-imine
CAS Name: 3-[(2,6-difluorophenyl)methylideneamino]-N-(2-methoxyethyl)-4-phenyl-2-thiazolimine
IUPAC NAME: 3-[(2,6-difluorophenyl)methylideneamino]-N-(2-methoxyethyl)-4-phenyl-1,3-thiazol-2-imine
SYSTEMATIC NAME: 3-[[2,6-bis(fluoranyl)phenyl]methylideneamino]-N-(2-methoxyethyl)-4-phenyl-1,3-thiazol-2-imine
MOLECULAR FORMULA: C19H17F2N3OS
MOLECULAR WEIGHT: 373.419586
SMILES: COCCN=C1N(C(=CS1)C2=CC=CC=C2)N=CC3=C(C=CC=C3F)F
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Product OPENEYE NAME: 3-[(2-chloro-6-fluoro-phenyl)methyleneamino]-N-(2-methoxyethyl)-4-phenyl-thiazol-2-imine
CAS Name: 3-[(2-chloro-6-fluorophenyl)methylideneamino]-N-(2-methoxyethyl)-4-phenyl-2-thiazolimine
IUPAC NAME: 3-[(2-chloro-6-fluorophenyl)methylideneamino]-N-(2-methoxyethyl)-4-phenyl-1,3-thiazol-2-imine
SYSTEMATIC NAME: 3-[(2-chloranyl-6-fluoranyl-phenyl)methylideneamino]-N-(2-methoxyethyl)-4-phenyl-1,3-thiazol-2-imine
MOLECULAR FORMULA: C19H17ClFN3OS
MOLECULAR WEIGHT: 389.874183
SMILES: COCCN=C1N(C(=CS1)C2=CC=CC=C2)N=CC3=C(C=CC=C3Cl)F
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Product OPENEYE NAME: 3-[(2,6-difluorophenyl)methyleneamino]-4-(4-fluorophenyl)-N-(2-methoxyethyl)thiazol-2-imine
CAS Name: 3-[(2,6-difluorophenyl)methylideneamino]-4-(4-fluorophenyl)-N-(2-methoxyethyl)-2-thiazolimine
IUPAC NAME: 3-[(2,6-difluorophenyl)methylideneamino]-4-(4-fluorophenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-imine
SYSTEMATIC NAME: 3-[[2,6-bis(fluoranyl)phenyl]methylideneamino]-4-(4-fluorophenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-imine
MOLECULAR FORMULA: C19H16F3N3OS
MOLECULAR WEIGHT: 391.41005
SMILES: COCCN=C1N(C(=CS1)C2=CC=C(C=C2)F)N=CC3=C(C=CC=C3F)F
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Product OPENEYE NAME: (2R)-N'-[2-(2-chlorophenoxy)acetyl]-2-phenyl-pentanehydrazide
CAS Name: (2R)-N'-[2-(2-chlorophenoxy)-1-oxoethyl]-2-phenylpentanehydrazide
IUPAC NAME: (2R)-N'-[2-(2-chlorophenoxy)acetyl]-2-phenylpentanehydrazide
SYSTEMATIC NAME: (2R)-N'-[2-(2-chloranylphenoxy)ethanoyl]-2-phenyl-pentanehydrazide
MOLECULAR FORMULA: C19H21ClN2O3
MOLECULAR WEIGHT: 360.83464
SMILES: CCC[C@H](C1=CC=CC=C1)C(=O)NNC(=O)COC2=CC=CC=C2Cl
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Product OPENEYE NAME: (3-cyano-4-imino-2-oxo-pentyl) (5S,7S)-3-hydroxyadamantane-1-carboxylate
CAS Name: (5S,7S)-3-hydroxy-1-adamantanecarboxylic acid (3-cyano-4-imino-2-oxopentyl) ester
IUPAC NAME: (3-cyano-4-imino-2-oxopentyl) (5S,7S)-3-hydroxyadamantane-1-carboxylate
SYSTEMATIC NAME: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) (5S,7S)-3-oxidanyladamantane-1-carboxylate
MOLECULAR FORMULA: C17H22N2O4
MOLECULAR WEIGHT: 318.36758
SMILES: CC(=N)C(C#N)C(=O)COC(=O)C12C[C@@H]3C[C@@H](C1)CC(C3)(C2)O
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Product OPENEYE NAME: (3,5-dimethylisoxazol-4-yl)methyl (2R)-2-(1,3-dioxoisoindolin-2-yl)-3-methyl-butanoate
CAS Name: (2R)-2-(1,3-dioxo-2-isoindolyl)-3-methylbutanoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester
IUPAC NAME: (3,5-dimethyl-1,2-oxazol-4-yl)methyl (2R)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoate
SYSTEMATIC NAME: (3,5-dimethyl-1,2-oxazol-4-yl)methyl (2R)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-butanoate
MOLECULAR FORMULA: C19H20N2O5
MOLECULAR WEIGHT: 356.3725
SMILES: CC1=C(C(=NO1)C)COC(=O)[C@@H](C(C)C)N2C(=O)C3=CC=CC=C3C2=O
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Product OPENEYE NAME: (1R,4S,5R)-4-(4-methoxyphenyl)-4-(trifluoromethyl)-3-azabicyclo[3.3.1]nonane-2,9-dione
CAS Name: (1R,4S,5R)-4-(4-methoxyphenyl)-4-(trifluoromethyl)-3-azabicyclo[3.3.1]nonane-2,9-dione
IUPAC NAME: (1R,4S,5R)-4-(4-methoxyphenyl)-4-(trifluoromethyl)-3-azabicyclo[3.3.1]nonane-2,9-dione
SYSTEMATIC NAME: (1R,4S,5R)-4-(4-methoxyphenyl)-4-(trifluoromethyl)-3-azabicyclo[3.3.1]nonane-2,9-dione
MOLECULAR FORMULA: C16H16F3NO3
MOLECULAR WEIGHT: 327.29835
SMILES: COC1=CC=C(C=C1)[C@@]2([C@H]3CCC[C@H](C3=O)C(=O)N2)C(F)(F)F
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Product OPENEYE NAME: (1R,4R,5R)-4-(4-methoxyphenyl)-4-(trifluoromethyl)-3-azabicyclo[3.3.1]nonane-2,9-dione
CAS Name: (1R,4R,5R)-4-(4-methoxyphenyl)-4-(trifluoromethyl)-3-azabicyclo[3.3.1]nonane-2,9-dione
IUPAC NAME: (1R,4R,5R)-4-(4-methoxyphenyl)-4-(trifluoromethyl)-3-azabicyclo[3.3.1]nonane-2,9-dione
SYSTEMATIC NAME: (1R,4R,5R)-4-(4-methoxyphenyl)-4-(trifluoromethyl)-3-azabicyclo[3.3.1]nonane-2,9-dione
MOLECULAR FORMULA: C16H16F3NO3
MOLECULAR WEIGHT: 327.29835
SMILES: COC1=CC=C(C=C1)[C@]2([C@H]3CCC[C@H](C3=O)C(=O)N2)C(F)(F)F
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Product OPENEYE NAME: [2-(methylamino)-2-oxo-ethyl] (5S,7S)-3-bromoadamantane-1-carboxylate
CAS Name: (5S,7S)-3-bromo-1-adamantanecarboxylic acid [2-(methylamino)-2-oxoethyl] ester
IUPAC NAME: [2-(methylamino)-2-oxoethyl] (5S,7S)-3-bromoadamantane-1-carboxylate
SYSTEMATIC NAME: [2-(methylamino)-2-oxidanylidene-ethyl] (5S,7S)-3-bromanyladamantane-1-carboxylate
MOLECULAR FORMULA: C14H20BrNO3
MOLECULAR WEIGHT: 330.2175
SMILES: CNC(=O)COC(=O)C12C[C@@H]3C[C@@H](C1)CC(C3)(C2)Br
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Product OPENEYE NAME: (3-cyano-4-imino-2-oxo-pentyl) 2-[(5S,7S)-3-bromo-1-adamantyl]acetate
CAS Name: 2-[(5S,7S)-3-bromo-1-adamantyl]acetic acid (3-cyano-4-imino-2-oxopentyl) ester
IUPAC NAME: (3-cyano-4-imino-2-oxopentyl) 2-[(5S,7S)-3-bromo-1-adamantyl]acetate
SYSTEMATIC NAME: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-[(5S,7S)-3-bromanyl-1-adamantyl]ethanoate
MOLECULAR FORMULA: C18H23BrN2O3
MOLECULAR WEIGHT: 395.29082
SMILES: CC(=N)C(C#N)C(=O)COC(=O)CC12C[C@@H]3C[C@@H](C1)CC(C3)(C2)Br
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Product OPENEYE NAME: [2-(cyclopropylamino)-2-oxo-ethyl] 2-[(5S,7S)-3-bromo-1-adamantyl]acetate
CAS Name: 2-[(5S,7S)-3-bromo-1-adamantyl]acetic acid [2-(cyclopropylamino)-2-oxoethyl] ester
IUPAC NAME: [2-(cyclopropylamino)-2-oxoethyl] 2-[(5S,7S)-3-bromo-1-adamantyl]acetate
SYSTEMATIC NAME: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] 2-[(5S,7S)-3-bromanyl-1-adamantyl]ethanoate
MOLECULAR FORMULA: C17H24BrNO3
MOLECULAR WEIGHT: 370.28136
SMILES: C1CC1NC(=O)COC(=O)CC23C[C@@H]4C[C@@H](C2)CC(C4)(C3)Br
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Product OPENEYE NAME: (2R)-N-benzyl-2-(3-methylpyridin-1-ium-1-yl)-3-(4-nitrophenyl)-3-oxo-propanimidothioate
CAS Name: (2R)-2-(3-methyl-1-pyridin-1-iumyl)-3-(4-nitrophenyl)-3-oxo-N-(phenylmethyl)propanimidothioate
IUPAC NAME: (2R)-N-benzyl-2-(3-methylpyridin-1-ium-1-yl)-3-(4-nitrophenyl)-3-oxopropanimidothioate
SYSTEMATIC NAME: (2R)-2-(3-methylpyridin-1-ium-1-yl)-3-(4-nitrophenyl)-3-oxidanylidene-N-(phenylmethyl)propanimidothioate
MOLECULAR FORMULA: C22H19N3O3S
MOLECULAR WEIGHT: 405.46956
SMILES: CC1=C[N+](=CC=C1)[C@H](C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=NCC3=CC=CC=C3)[S-]
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