Product OPENEYE NAME: (3R)-3-[4-allyl-5-[[5-methyl-2-(2-thienyl)oxazol-4-yl]methylsulfanyl]-1,2,4-triazol-3-yl]thiolane 1,1-dioxide
CAS Name: (3R)-3-[5-[(5-methyl-2-thiophen-2-yl-4-oxazolyl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]thiolane 1,1-dioxide
IUPAC NAME: (3R)-3-[5-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thiolane 1,1-dioxide
SYSTEMATIC NAME: (3R)-3-[5-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thiolane 1,1-dioxide
MOLECULAR FORMULA: C18H20N4O3S3
MOLECULAR WEIGHT: 436.5714
SMILES: CC1=C(N=C(O1)C2=CC=CS2)CSC3=NN=C(N3CC=C)[C@H]4CCS(=O)(=O)C4
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Product OPENEYE NAME: 4-[5-[[5-methyl-2-(2-thienyl)oxazol-4-yl]methylsulfanyl]-4-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,2,4-triazol-3-yl]morpholine
CAS Name: 4-[5-[(5-methyl-2-thiophen-2-yl-4-oxazolyl)methylthio]-4-[[(2S)-2-oxolanyl]methyl]-1,2,4-triazol-3-yl]morpholine
IUPAC NAME: 4-[5-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]morpholine
SYSTEMATIC NAME: 4-[5-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]morpholine
MOLECULAR FORMULA: C20H25N5O3S2
MOLECULAR WEIGHT: 447.5742
SMILES: CC1=C(N=C(O1)C2=CC=CS2)CSC3=NN=C(N3C[C@@H]4CCCO4)N5CCOCC5
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Product OPENEYE NAME: 4-[5-[[5-methyl-2-(2-thienyl)oxazol-4-yl]methylsulfanyl]-4-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,2,4-triazol-3-yl]morpholine
CAS Name: 4-[5-[(5-methyl-2-thiophen-2-yl-4-oxazolyl)methylthio]-4-[[(2R)-2-oxolanyl]methyl]-1,2,4-triazol-3-yl]morpholine
IUPAC NAME: 4-[5-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-4-[[(2R)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]morpholine
SYSTEMATIC NAME: 4-[5-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-4-[[(2R)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]morpholine
MOLECULAR FORMULA: C20H25N5O3S2
MOLECULAR WEIGHT: 447.5742
SMILES: CC1=C(N=C(O1)C2=CC=CS2)CSC3=NN=C(N3C[C@H]4CCCO4)N5CCOCC5
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Product OPENEYE NAME: 4-[[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-diazepan-1-yl]methyl]benzonitrile
CAS Name: 4-[[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-diazepan-1-yl]methyl]benzonitrile
IUPAC NAME: 4-[[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-diazepan-1-yl]methyl]benzonitrile
SYSTEMATIC NAME: 4-[[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-diazepan-1-yl]methyl]benzenecarbonitrile
MOLECULAR FORMULA: C18H23N5O
MOLECULAR WEIGHT: 325.40812
SMILES: CCC1=NN=C(O1)CN2CCCN(CC2)CC3=CC=C(C=C3)C#N
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Product OPENEYE NAME: methyl 1-[(2S)-2,3-dihydrobenzothiophene-2-carbonyl]piperidine-4-carboxylate
CAS Name: 1-[[(2S)-2,3-dihydro-1-benzothiophen-2-yl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[(2S)-2,3-dihydro-1-benzothiophene-2-carbonyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[[(2S)-2,3-dihydro-1-benzothiophen-2-yl]carbonyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C16H19NO3S
MOLECULAR WEIGHT: 305.39196
SMILES: COC(=O)C1CCN(CC1)C(=O)[C@@H]2CC3=CC=CC=C3S2
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Product OPENEYE NAME: methyl 1-[(2R)-2,3-dihydrobenzothiophene-2-carbonyl]piperidine-4-carboxylate
CAS Name: 1-[[(2R)-2,3-dihydro-1-benzothiophen-2-yl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[(2R)-2,3-dihydro-1-benzothiophene-2-carbonyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[[(2R)-2,3-dihydro-1-benzothiophen-2-yl]carbonyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C16H19NO3S
MOLECULAR WEIGHT: 305.39196
SMILES: COC(=O)C1CCN(CC1)C(=O)[C@H]2CC3=CC=CC=C3S2
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Product OPENEYE NAME: N-[3-(azepan-1-ium-1-yl)propyl]-1,2-dihydroacenaphthylene-5-carboxamide
CAS Name: N-[3-(1-azepan-1-iumyl)propyl]-1,2-dihydroacenaphthylene-5-carboxamide
IUPAC NAME: N-[3-(azepan-1-ium-1-yl)propyl]-1,2-dihydroacenaphthylene-5-carboxamide
SYSTEMATIC NAME: N-[3-(azepan-1-ium-1-yl)propyl]-1,2-dihydroacenaphthylene-5-carboxamide
MOLECULAR FORMULA: C22H29N2O+
MOLECULAR WEIGHT: 337.47846
SMILES: C1CCC[NH+](CC1)CCCNC(=O)C2=C3C=CC=C4C3=C(CC4)C=C2
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Product OPENEYE NAME: N-[3-(azepan-1-yl)propyl]-1,2-dihydroacenaphthylene-5-carboxamide
CAS Name: N-[3-(1-azepanyl)propyl]-1,2-dihydroacenaphthylene-5-carboxamide
IUPAC NAME: N-[3-(azepan-1-yl)propyl]-1,2-dihydroacenaphthylene-5-carboxamide
SYSTEMATIC NAME: N-[3-(azepan-1-yl)propyl]-1,2-dihydroacenaphthylene-5-carboxamide
MOLECULAR FORMULA: C22H28N2O
MOLECULAR WEIGHT: 336.47052
SMILES: C1CCCN(CC1)CCCNC(=O)C2=C3C=CC=C4C3=C(CC4)C=C2
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Product OPENEYE NAME: 1-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-3-(2-nitroanilino)propan-1-one
CAS Name: 1-[4-(2,5-dichlorophenyl)sulfonyl-1-piperazinyl]-3-(2-nitroanilino)-1-propanone
IUPAC NAME: 1-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-3-(2-nitroanilino)propan-1-one
SYSTEMATIC NAME: 1-[4-[2,5-bis(chloranyl)phenyl]sulfonylpiperazin-1-yl]-3-[(2-nitrophenyl)amino]propan-1-one
MOLECULAR FORMULA: C19H20Cl2N4O5S
MOLECULAR WEIGHT: 487.3569
SMILES: C1CN(CCN1C(=O)CCNC2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl
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Product OPENEYE NAME: [(S)-(4-fluorophenyl)-phenyl-methyl]-methyl-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]ammonium
CAS Name: [(S)-(4-fluorophenyl)-phenylmethyl]-methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]ammonium
IUPAC NAME: [(S)-(4-fluorophenyl)-phenylmethyl]-methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]azanium
SYSTEMATIC NAME: [(S)-(4-fluorophenyl)-phenyl-methyl]-methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]azanium
MOLECULAR FORMULA: C21H19FN3OS+
MOLECULAR WEIGHT: 380.458463
SMILES: C[NH+](CC1=NC(=NO1)C2=CC=CS2)[C@@H](C3=CC=CC=C3)C4=CC=C(C=C4)F
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Product OPENEYE NAME: (1S)-1-(4-fluorophenyl)-N-methyl-1-phenyl-N-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CAS Name: (1S)-1-(4-fluorophenyl)-N-methyl-1-phenyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
IUPAC NAME: (1S)-1-(4-fluorophenyl)-N-methyl-1-phenyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
SYSTEMATIC NAME: (1S)-1-(4-fluorophenyl)-N-methyl-1-phenyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
MOLECULAR FORMULA: C21H18FN3OS
MOLECULAR WEIGHT: 379.450523
SMILES: CN(CC1=NC(=NO1)C2=CC=CS2)[C@@H](C3=CC=CC=C3)C4=CC=C(C=C4)F
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Product OPENEYE NAME: [(R)-(4-fluorophenyl)-phenyl-methyl]-methyl-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]ammonium
CAS Name: [(R)-(4-fluorophenyl)-phenylmethyl]-methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]ammonium
IUPAC NAME: [(R)-(4-fluorophenyl)-phenylmethyl]-methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]azanium
SYSTEMATIC NAME: [(R)-(4-fluorophenyl)-phenyl-methyl]-methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]azanium
MOLECULAR FORMULA: C21H19FN3OS+
MOLECULAR WEIGHT: 380.458463
SMILES: C[NH+](CC1=NC(=NO1)C2=CC=CS2)[C@H](C3=CC=CC=C3)C4=CC=C(C=C4)F
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Product OPENEYE NAME: (1R)-1-(4-fluorophenyl)-N-methyl-1-phenyl-N-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CAS Name: (1R)-1-(4-fluorophenyl)-N-methyl-1-phenyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
IUPAC NAME: (1R)-1-(4-fluorophenyl)-N-methyl-1-phenyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
SYSTEMATIC NAME: (1R)-1-(4-fluorophenyl)-N-methyl-1-phenyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
MOLECULAR FORMULA: C21H18FN3OS
MOLECULAR WEIGHT: 379.450523
SMILES: CN(CC1=NC(=NO1)C2=CC=CS2)[C@H](C3=CC=CC=C3)C4=CC=C(C=C4)F
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Product OPENEYE NAME: N-methyl-3-[[(2R)-2-(4-nitrophenyl)sulfanylpropanoyl]amino]benzamide
CAS Name: N-methyl-3-[[(2R)-2-[(4-nitrophenyl)thio]-1-oxopropyl]amino]benzamide
IUPAC NAME: N-methyl-3-[[(2R)-2-(4-nitrophenyl)sulfanylpropanoyl]amino]benzamide
SYSTEMATIC NAME: N-methyl-3-[[(2R)-2-(4-nitrophenyl)sulfanylpropanoyl]amino]benzamide
MOLECULAR FORMULA: C17H17N3O4S
MOLECULAR WEIGHT: 359.39958
SMILES: C[C@H](C(=O)NC1=CC=CC(=C1)C(=O)NC)SC2=CC=C(C=C2)[N+](=O)[O-]
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Product OPENEYE NAME: [(S)-(4-fluorophenyl)-phenyl-methyl]-methyl-(thiazol-4-ylmethyl)ammonium
CAS Name: [(S)-(4-fluorophenyl)-phenylmethyl]-methyl-(4-thiazolylmethyl)ammonium
IUPAC NAME: [(S)-(4-fluorophenyl)-phenylmethyl]-methyl-(1,3-thiazol-4-ylmethyl)azanium
SYSTEMATIC NAME: [(S)-(4-fluorophenyl)-phenyl-methyl]-methyl-(1,3-thiazol-4-ylmethyl)azanium
MOLECULAR FORMULA: C18H18FN2S+
MOLECULAR WEIGHT: 313.412323
SMILES: C[NH+](CC1=CSC=N1)[C@@H](C2=CC=CC=C2)C3=CC=C(C=C3)F
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Product OPENEYE NAME: (1S)-1-(4-fluorophenyl)-N-methyl-1-phenyl-N-(thiazol-4-ylmethyl)methanamine
CAS Name: (1S)-1-(4-fluorophenyl)-N-methyl-1-phenyl-N-(4-thiazolylmethyl)methanamine
IUPAC NAME: (1S)-1-(4-fluorophenyl)-N-methyl-1-phenyl-N-(1,3-thiazol-4-ylmethyl)methanamine
SYSTEMATIC NAME: (1S)-1-(4-fluorophenyl)-N-methyl-1-phenyl-N-(1,3-thiazol-4-ylmethyl)methanamine
MOLECULAR FORMULA: C18H17FN2S
MOLECULAR WEIGHT: 312.404383
SMILES: CN(CC1=CSC=N1)[C@@H](C2=CC=CC=C2)C3=CC=C(C=C3)F
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Product OPENEYE NAME: N-methyl-3-[[(2S)-2-(4-nitrophenyl)sulfanylpropanoyl]amino]benzamide
CAS Name: N-methyl-3-[[(2S)-2-[(4-nitrophenyl)thio]-1-oxopropyl]amino]benzamide
IUPAC NAME: N-methyl-3-[[(2S)-2-(4-nitrophenyl)sulfanylpropanoyl]amino]benzamide
SYSTEMATIC NAME: N-methyl-3-[[(2S)-2-(4-nitrophenyl)sulfanylpropanoyl]amino]benzamide
MOLECULAR FORMULA: C17H17N3O4S
MOLECULAR WEIGHT: 359.39958
SMILES: C[C@@H](C(=O)NC1=CC=CC(=C1)C(=O)NC)SC2=CC=C(C=C2)[N+](=O)[O-]
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Product OPENEYE NAME: [(R)-(4-fluorophenyl)-phenyl-methyl]-methyl-(thiazol-4-ylmethyl)ammonium
CAS Name: [(R)-(4-fluorophenyl)-phenylmethyl]-methyl-(4-thiazolylmethyl)ammonium
IUPAC NAME: [(R)-(4-fluorophenyl)-phenylmethyl]-methyl-(1,3-thiazol-4-ylmethyl)azanium
SYSTEMATIC NAME: [(R)-(4-fluorophenyl)-phenyl-methyl]-methyl-(1,3-thiazol-4-ylmethyl)azanium
MOLECULAR FORMULA: C18H18FN2S+
MOLECULAR WEIGHT: 313.412323
SMILES: C[NH+](CC1=CSC=N1)[C@H](C2=CC=CC=C2)C3=CC=C(C=C3)F
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Product OPENEYE NAME: (1R)-1-(4-fluorophenyl)-N-methyl-1-phenyl-N-(thiazol-4-ylmethyl)methanamine
CAS Name: (1R)-1-(4-fluorophenyl)-N-methyl-1-phenyl-N-(4-thiazolylmethyl)methanamine
IUPAC NAME: (1R)-1-(4-fluorophenyl)-N-methyl-1-phenyl-N-(1,3-thiazol-4-ylmethyl)methanamine
SYSTEMATIC NAME: (1R)-1-(4-fluorophenyl)-N-methyl-1-phenyl-N-(1,3-thiazol-4-ylmethyl)methanamine
MOLECULAR FORMULA: C18H17FN2S
MOLECULAR WEIGHT: 312.404383
SMILES: CN(CC1=CSC=N1)[C@H](C2=CC=CC=C2)C3=CC=C(C=C3)F
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Product OPENEYE NAME: 3-[(2-indan-5-ylacetyl)amino]-N-methyl-benzamide
CAS Name: 3-[[2-(2,3-dihydro-1H-inden-5-yl)-1-oxoethyl]amino]-N-methylbenzamide
IUPAC NAME: 3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-N-methylbenzamide
SYSTEMATIC NAME: 3-[2-(2,3-dihydro-1H-inden-5-yl)ethanoylamino]-N-methyl-benzamide
MOLECULAR FORMULA: C19H20N2O2
MOLECULAR WEIGHT: 308.3743
SMILES: CNC(=O)C1=CC(=CC=C1)NC(=O)CC2=CC3=C(CCC3)C=C2
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Product OPENEYE NAME: N-(5-methyl-2-pyridyl)-3-(1,3,4,6-tetramethylpyrazolo[3,4-b]pyridin-5-yl)propanamide
CAS Name: N-(5-methyl-2-pyridinyl)-3-(1,3,4,6-tetramethyl-5-pyrazolo[3,4-b]pyridinyl)propanamide
IUPAC NAME: N-(5-methylpyridin-2-yl)-3-(1,3,4,6-tetramethylpyrazolo[3,4-b]pyridin-5-yl)propanamide
SYSTEMATIC NAME: N-(5-methylpyridin-2-yl)-3-(1,3,4,6-tetramethylpyrazolo[3,4-b]pyridin-5-yl)propanamide
MOLECULAR FORMULA: C19H23N5O
MOLECULAR WEIGHT: 337.41882
SMILES: CC1=CN=C(C=C1)NC(=O)CCC2=C(N=C3C(=C2C)C(=NN3C)C)C
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Product OPENEYE NAME: methyl (2R)-2-[[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]propanoate
CAS Name: (2R)-2-[[[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-oxomethyl]amino]propanoic acid methyl ester
IUPAC NAME: methyl (2R)-2-[[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]propanoate
SYSTEMATIC NAME: methyl (2R)-2-[[3-(4-chlorophenyl)-1H-pyrazol-5-yl]carbonylamino]propanoate
MOLECULAR FORMULA: C14H14ClN3O3
MOLECULAR WEIGHT: 307.73226
SMILES: C[C@H](C(=O)OC)NC(=O)C1=CC(=NN1)C2=CC=C(C=C2)Cl
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