Product OPENEYE NAME: 2-tert-butyl-4-chloro-5-[(4-propoxyphenyl)methylsulfanyl]pyridazin-3-one
CAS Name: 2-tert-butyl-4-chloro-5-[(4-propoxyphenyl)methylthio]-3-pyridazinone
IUPAC NAME: 2-tert-butyl-4-chloro-5-[(4-propoxyphenyl)methylsulfanyl]pyridazin-3-one
SYSTEMATIC NAME: 2-tert-butyl-4-chloranyl-5-[(4-propoxyphenyl)methylsulfanyl]pyridazin-3-one
MOLECULAR FORMULA: C18H23ClN2O2S
MOLECULAR WEIGHT: 366.90542
SMILES: CCCOC1=CC=C(C=C1)CSC2=C(C(=O)N(N=C2)C(C)(C)C)Cl
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Product OPENEYE NAME: 2-tert-butyl-4-chloro-5-[(4-chlorophenyl)methylsulfanyl]pyridazin-3-one
CAS Name: 2-tert-butyl-4-chloro-5-[(4-chlorophenyl)methylthio]-3-pyridazinone
IUPAC NAME: 2-tert-butyl-4-chloro-5-[(4-chlorophenyl)methylsulfanyl]pyridazin-3-one
SYSTEMATIC NAME: 2-tert-butyl-4-chloranyl-5-[(4-chlorophenyl)methylsulfanyl]pyridazin-3-one
MOLECULAR FORMULA: C15H16Cl2N2OS
MOLECULAR WEIGHT: 343.27134
SMILES: CC(C)(C)N1C(=O)C(=C(C=N1)SCC2=CC=C(C=C2)Cl)Cl
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Product OPENEYE NAME: 2-tert-butyl-4-chloro-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyridazin-3-one
CAS Name: 2-tert-butyl-4-chloro-5-[[4-(trifluoromethyl)phenyl]methylthio]-3-pyridazinone
IUPAC NAME: 2-tert-butyl-4-chloro-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyridazin-3-one
SYSTEMATIC NAME: 2-tert-butyl-4-chloranyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyridazin-3-one
MOLECULAR FORMULA: C16H16ClF3N2OS
MOLECULAR WEIGHT: 376.82425
SMILES: CC(C)(C)N1C(=O)C(=C(C=N1)SCC2=CC=C(C=C2)C(F)(F)F)Cl
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Product OPENEYE NAME: 4-bromo-2-tert-butyl-5-sulfanyl-pyridazin-3-one
CAS Name: 4-bromo-2-tert-butyl-5-mercapto-3-pyridazinone
IUPAC NAME: 4-bromo-2-tert-butyl-5-sulfanylpyridazin-3-one
SYSTEMATIC NAME: 4-bromanyl-2-tert-butyl-5-sulfanyl-pyridazin-3-one
MOLECULAR FORMULA: C8H11BrN2OS
MOLECULAR WEIGHT: 263.15474
SMILES: CC(C)(C)N1C(=O)C(=C(C=N1)S)Br
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Product OPENEYE NAME: 4-bromo-2-tert-butyl-5-[(4-tert-butylphenyl)methylsulfanyl]pyridazin-3-one
CAS Name: 4-bromo-2-tert-butyl-5-[(4-tert-butylphenyl)methylthio]-3-pyridazinone
IUPAC NAME: 4-bromo-2-tert-butyl-5-[(4-tert-butylphenyl)methylsulfanyl]pyridazin-3-one
SYSTEMATIC NAME: 4-bromanyl-2-tert-butyl-5-[(4-tert-butylphenyl)methylsulfanyl]pyridazin-3-one
MOLECULAR FORMULA: C19H25BrN2OS
MOLECULAR WEIGHT: 409.3836
SMILES: CC(C)(C)C1=CC=C(C=C1)CSC2=C(C(=O)N(N=C2)C(C)(C)C)Br
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Product OPENEYE NAME: 1-(4-tert-butylphenyl)ethyl acetate
CAS Name: acetic acid 1-(4-tert-butylphenyl)ethyl ester
IUPAC NAME: 1-(4-tert-butylphenyl)ethyl acetate
SYSTEMATIC NAME: 1-(4-tert-butylphenyl)ethyl ethanoate
MOLECULAR FORMULA: C14H20O2
MOLECULAR WEIGHT: 220.3074
SMILES: CC(C1=CC=C(C=C1)C(C)(C)C)OC(=O)C
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Product OPENEYE NAME: N-benzyl-3,6-dimethoxy-2-nitro-aniline
CAS Name: 3,6-dimethoxy-2-nitro-N-(phenylmethyl)aniline
IUPAC NAME: N-benzyl-3,6-dimethoxy-2-nitroaniline
SYSTEMATIC NAME: 3,6-dimethoxy-2-nitro-N-(phenylmethyl)aniline
MOLECULAR FORMULA: C15H16N2O4
MOLECULAR WEIGHT: 288.29854
SMILES: COC1=C(C(=C(C=C1)OC)[N+](=O)[O-])NCC2=CC=CC=C2
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Product OPENEYE NAME: 6,7-dichloro-2-[(Z)-3-chlorobut-2-enyl]-5-methoxy-2-propyl-indan-1-one
CAS Name: 6,7-dichloro-2-[(Z)-3-chlorobut-2-enyl]-5-methoxy-2-propyl-3H-inden-1-one
IUPAC NAME: 6,7-dichloro-2-[(Z)-3-chlorobut-2-enyl]-5-methoxy-2-propyl-3H-inden-1-one
SYSTEMATIC NAME: 6,7-bis(chloranyl)-2-[(Z)-3-chloranylbut-2-enyl]-5-methoxy-2-propyl-3H-inden-1-one
MOLECULAR FORMULA: C17H19Cl3O2
MOLECULAR WEIGHT: 361.69056
SMILES: CCCC1(CC2=CC(=C(C(=C2C1=O)Cl)Cl)OC)C/C=C(/C)\Cl
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Product OPENEYE NAME: [1-[(3,4-dichlorophenyl)methyl]-5-vinyl-quinuclidin-1-ium-2-yl]-(4-quinolyl)methanol
CAS Name: [1-[(3,4-dichlorophenyl)methyl]-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(4-quinolinyl)methanol
IUPAC NAME: [1-[(3,4-dichlorophenyl)methyl]-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol
SYSTEMATIC NAME: [1-[(3,4-dichlorophenyl)methyl]-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-yl-methanol
MOLECULAR FORMULA: C26H27Cl2N2O+
MOLECULAR WEIGHT: 454.41138
SMILES: C=CC1C[N+]2(CCC1CC2C(C3=CC=NC4=CC=CC=C34)O)CC5=CC(=C(C=C5)Cl)Cl
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Product OPENEYE NAME: (R)-[(2S,4S,5R)-1-[(3,4-dichlorophenyl)methyl]-5-vinyl-quinuclidin-1-ium-2-yl]-(4-quinolyl)methanol chloride
CAS Name: (R)-[(2S,4S,5R)-1-[(3,4-dichlorophenyl)methyl]-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(4-quinolinyl)methanol chloride
IUPAC NAME: (R)-[(2S,4S,5R)-1-[(3,4-dichlorophenyl)methyl]-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol chloride
SYSTEMATIC NAME: (R)-[(2S,4S,5R)-1-[(3,4-dichlorophenyl)methyl]-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-yl-methanol chloride
MOLECULAR FORMULA: C26H27Cl3N2O
MOLECULAR WEIGHT: 489.86438
SMILES: C=C[C@H]1C[N+]2(CC[C@H]1C[C@H]2[C@@H](C3=CC=NC4=CC=CC=C34)O)CC5=CC(=C(C=C5)Cl)Cl.[Cl-]
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Product OPENEYE NAME: (R)-[(2S,4S,5R)-1-[(3,4-dichlorophenyl)methyl]-5-vinyl-quinuclidin-1-ium-2-yl]-(4-quinolyl)methanol
CAS Name: (R)-[(2S,4S,5R)-1-[(3,4-dichlorophenyl)methyl]-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(4-quinolinyl)methanol
IUPAC NAME: (R)-[(2S,4S,5R)-1-[(3,4-dichlorophenyl)methyl]-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol
SYSTEMATIC NAME: (R)-[(2S,4S,5R)-1-[(3,4-dichlorophenyl)methyl]-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-yl-methanol
MOLECULAR FORMULA: C26H27Cl2N2O+
MOLECULAR WEIGHT: 454.41138
SMILES: C=C[C@H]1C[N+]2(CC[C@H]1C[C@H]2[C@@H](C3=CC=NC4=CC=CC=C34)O)CC5=CC(=C(C=C5)Cl)Cl
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Product OPENEYE NAME: 5,5-dimethyl-4H-thiazol-2-amine
CAS Name: 5,5-dimethyl-4H-thiazol-2-amine
IUPAC NAME: 5,5-dimethyl-4H-1,3-thiazol-2-amine
SYSTEMATIC NAME: 5,5-dimethyl-4H-1,3-thiazol-2-amine
MOLECULAR FORMULA: C5H10N2S
MOLECULAR WEIGHT: 130.2113
SMILES: CC1(CN=C(S1)N)C
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Product OPENEYE NAME: N-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)methyl]thiophene-2-carboxamide
CAS Name: N-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)methyl]-2-thiophenecarboxamide
IUPAC NAME: N-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)methyl]thiophene-2-carboxamide
SYSTEMATIC NAME: N-[(4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)methyl]thiophene-2-carboxamide
MOLECULAR FORMULA: C10H9N3O3S
MOLECULAR WEIGHT: 251.26176
SMILES: C1=CSC(=C1)C(=O)NCC2=NC(=CC(=O)N2)O
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Product OPENEYE NAME: 2,4-dichloro-6-(2-thienyl)imidazo[1,5-a]pyrimidine
CAS Name: 2,4-dichloro-6-thiophen-2-ylimidazo[1,5-a]pyrimidine
IUPAC NAME: 2,4-dichloro-6-thiophen-2-ylimidazo[1,5-a]pyrimidine
SYSTEMATIC NAME: 2,4-bis(chloranyl)-6-thiophen-2-yl-imidazo[1,5-a]pyrimidine
MOLECULAR FORMULA: C10H5Cl2N3S
MOLECULAR WEIGHT: 270.1378
SMILES: C1=CSC(=C1)C2=NC=C3N2C(=CC(=N3)Cl)Cl
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Product OPENEYE NAME: 2,4,8-trichloro-6-phenyl-imidazo[1,5-a]pyrimidine
CAS Name: 2,4,8-trichloro-6-phenylimidazo[1,5-a]pyrimidine
IUPAC NAME: 2,4,8-trichloro-6-phenylimidazo[1,5-a]pyrimidine
SYSTEMATIC NAME: 2,4,8-tris(chloranyl)-6-phenyl-imidazo[1,5-a]pyrimidine
MOLECULAR FORMULA: C12H6Cl3N3
MOLECULAR WEIGHT: 298.55514
SMILES: C1=CC=C(C=C1)C2=NC(=C3N2C(=CC(=N3)Cl)Cl)Cl
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Product OPENEYE NAME: 5-(2,6-difluorophenyl)-1,2,4-dithiazol-3-one
CAS Name: 5-(2,6-difluorophenyl)-1,2,4-dithiazol-3-one
IUPAC NAME: 5-(2,6-difluorophenyl)-1,2,4-dithiazol-3-one
SYSTEMATIC NAME: 5-[2,6-bis(fluoranyl)phenyl]-1,2,4-dithiazol-3-one
MOLECULAR FORMULA: C8H3F2NOS2
MOLECULAR WEIGHT: 231.242326
SMILES: C1=CC(=C(C(=C1)F)C2=NC(=O)SS2)F
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Product OPENEYE NAME: N-tert-butylpyridine-2-sulfonamide
CAS Name: N-tert-butyl-2-pyridinesulfonamide
IUPAC NAME: N-tert-butylpyridine-2-sulfonamide
SYSTEMATIC NAME: N-tert-butylpyridine-2-sulfonamide
MOLECULAR FORMULA: C9H14N2O2S
MOLECULAR WEIGHT: 214.28466
SMILES: CC(C)(C)NS(=O)(=O)C1=CC=CC=N1
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Product OPENEYE NAME: N-tert-butylpyridine-3-sulfonamide
CAS Name: N-tert-butyl-3-pyridinesulfonamide
IUPAC NAME: N-tert-butylpyridine-3-sulfonamide
SYSTEMATIC NAME: N-tert-butylpyridine-3-sulfonamide
MOLECULAR FORMULA: C9H14N2O2S
MOLECULAR WEIGHT: 214.28466
SMILES: CC(C)(C)NS(=O)(=O)C1=CN=CC=C1
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Product OPENEYE NAME: 2-methyl-6-nitro-4-prop-2-ynyl-1,4-benzoxazin-3-one
CAS Name: 2-methyl-6-nitro-4-prop-2-ynyl-1,4-benzoxazin-3-one
IUPAC NAME: 2-methyl-6-nitro-4-prop-2-ynyl-1,4-benzoxazin-3-one
SYSTEMATIC NAME: 2-methyl-6-nitro-4-prop-2-ynyl-1,4-benzoxazin-3-one
MOLECULAR FORMULA: C12H10N2O4
MOLECULAR WEIGHT: 246.2188
SMILES: CC1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC#C
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Product OPENEYE NAME: 6-amino-2-methyl-4-prop-2-ynyl-1,4-benzoxazin-3-one
CAS Name: 6-amino-2-methyl-4-prop-2-ynyl-1,4-benzoxazin-3-one
IUPAC NAME: 6-amino-2-methyl-4-prop-2-ynyl-1,4-benzoxazin-3-one
SYSTEMATIC NAME: 6-azanyl-2-methyl-4-prop-2-ynyl-1,4-benzoxazin-3-one
MOLECULAR FORMULA: C12H12N2O2
MOLECULAR WEIGHT: 216.23588
SMILES: CC1C(=O)N(C2=C(O1)C=CC(=C2)N)CC#C
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Product OPENEYE NAME: 6-amino-4-prop-2-ynyl-1,4-benzoxazin-3-one
CAS Name: 6-amino-4-prop-2-ynyl-1,4-benzoxazin-3-one
IUPAC NAME: 6-amino-4-prop-2-ynyl-1,4-benzoxazin-3-one
SYSTEMATIC NAME: 6-azanyl-4-prop-2-ynyl-1,4-benzoxazin-3-one
MOLECULAR FORMULA: C11H10N2O2
MOLECULAR WEIGHT: 202.2093
SMILES: C#CCN1C(=O)COC2=C1C=C(C=C2)N
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Product OPENEYE NAME: 2-(2-methyl-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione
CAS Name: 2-(2-methyl-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione
IUPAC NAME: 2-(2-methyl-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione
SYSTEMATIC NAME: 2-(2-methyl-3-oxidanylidene-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione
MOLECULAR FORMULA: C20H18N2O4
MOLECULAR WEIGHT: 350.36792
SMILES: CC1C(=O)N(C2=C(O1)C=CC(=C2)N3C(=O)C4=C(C3=O)CCCC4)CC#C
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Product OPENEYE NAME: diethyl 2-[3-(1,3-dioxoisoindolin-2-yl)-2-oxo-azetidin-1-yl]propanedioate
CAS Name: 2-[3-(1,3-dioxo-2-isoindolyl)-2-oxo-1-azetidinyl]propanedioic acid diethyl ester
IUPAC NAME: diethyl 2-[3-(1,3-dioxoisoindol-2-yl)-2-oxoazetidin-1-yl]propanedioate
SYSTEMATIC NAME: diethyl 2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-oxidanylidene-azetidin-1-yl]propanedioate
MOLECULAR FORMULA: C18H18N2O7
MOLECULAR WEIGHT: 374.34472
SMILES: CCOC(=O)C(C(=O)OCC)N1CC(C1=O)N2C(=O)C3=CC=CC=C3C2=O
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Product OPENEYE NAME: diethyl 2-(3,3-dimethyl-2-oxo-azetidin-1-yl)propanedioate
CAS Name: 2-(3,3-dimethyl-2-oxo-1-azetidinyl)propanedioic acid diethyl ester
IUPAC NAME: diethyl 2-(3,3-dimethyl-2-oxoazetidin-1-yl)propanedioate
SYSTEMATIC NAME: diethyl 2-(3,3-dimethyl-2-oxidanylidene-azetidin-1-yl)propanedioate
MOLECULAR FORMULA: C12H19NO5
MOLECULAR WEIGHT: 257.28296
SMILES: CCOC(=O)C(C(=O)OCC)N1CC(C1=O)(C)C
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