Product OPENEYE NAME: diethyl 2-[[(4-aminobenzoyl)amino]methylsulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CAS Name: 2-[[[[(4-aminophenyl)-oxomethyl]amino]methylthio]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester
IUPAC NAME: diethyl 2-[[(4-aminobenzoyl)amino]methylsulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
SYSTEMATIC NAME: diethyl 2-[[(4-aminophenyl)carbonylamino]methylsulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
MOLECULAR FORMULA: C27H30N4O7S
MOLECULAR WEIGHT: 554.6147
SMILES: CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)CSCNC(=O)C3=CC=C(C=C3)N)C
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Product OPENEYE NAME: 2-methyl-6-(methylsulfanylmethylsulfanylmethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine
CAS Name: 2-methyl-6-[[(methylthio)methylthio]methyl]-4-(3-nitrophenyl)-1,4-dihydropyridine
IUPAC NAME: 2-methyl-6-(methylsulfanylmethylsulfanylmethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine
SYSTEMATIC NAME: 2-methyl-6-(methylsulfanylmethylsulfanylmethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine
MOLECULAR FORMULA: C15H18N2O2S2
MOLECULAR WEIGHT: 322.44562
SMILES: CC1=CC(C=C(N1)CSCSC)C2=CC(=CC=C2)[N+](=O)[O-]
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Product OPENEYE NAME: diethyl 2-(acetoxymethylsulfinylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CAS Name: 2-(acetyloxymethylsulfinylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester
IUPAC NAME: diethyl 2-(acetyloxymethylsulfinylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
SYSTEMATIC NAME: diethyl 2-(acetyloxymethylsulfinylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
MOLECULAR FORMULA: C22H26N2O9S
MOLECULAR WEIGHT: 494.51484
SMILES: CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)CS(=O)COC(=O)C)C
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Product OPENEYE NAME: ethyl [methylsulfanyl-[3-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methyl] carbonate
CAS Name: carbonic acid ethyl [(methylthio)-[3-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methyl] ester
IUPAC NAME: ethyl [methylsulfanyl-[3-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methyl] carbonate
SYSTEMATIC NAME: ethyl [methylsulfanyl-[3-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methyl] carbonate
MOLECULAR FORMULA: C16H18N2O5S
MOLECULAR WEIGHT: 350.38952
SMILES: CCOC(=O)OC(C1=C(CC=CN1)C2=CC(=CC=C2)[N+](=O)[O-])SC
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Product OPENEYE NAME: 4H-pyridin-1-ylmethylsulfanylmethyl imidazole-1-carboxylate
CAS Name: 1-imidazolecarboxylic acid (4H-pyridin-1-ylmethylthio)methyl ester
IUPAC NAME: 4H-pyridin-1-ylmethylsulfanylmethyl imidazole-1-carboxylate
SYSTEMATIC NAME: 4H-pyridin-1-ylmethylsulfanylmethyl imidazole-1-carboxylate
MOLECULAR FORMULA: C11H13N3O2S
MOLECULAR WEIGHT: 251.30482
SMILES: C1C=CN(C=C1)CSCOC(=O)N2C=CN=C2
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Product OPENEYE NAME: 1-(1-methoxyethylsulfanylmethyl)-2-phenyl-4H-pyridine
CAS Name: 1-[(1-methoxyethylthio)methyl]-2-phenyl-4H-pyridine
IUPAC NAME: 1-(1-methoxyethylsulfanylmethyl)-2-phenyl-4H-pyridine
SYSTEMATIC NAME: 1-(1-methoxyethylsulfanylmethyl)-2-phenyl-4H-pyridine
MOLECULAR FORMULA: C15H19NOS
MOLECULAR WEIGHT: 261.38246
SMILES: CC(OC)SCN1C=CCC=C1C2=CC=CC=C2
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Product OPENEYE NAME: diethyl 2-[1-(aminomethylsulfanyl)ethyl]-4-(3-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
CAS Name: 2-[1-(aminomethylthio)ethyl]-4-(3-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester
IUPAC NAME: diethyl 2-[1-(aminomethylsulfanyl)ethyl]-4-(3-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
SYSTEMATIC NAME: diethyl 2-[1-(aminomethylsulfanyl)ethyl]-4-(3-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
MOLECULAR FORMULA: C21H27ClN2O4S
MOLECULAR WEIGHT: 438.96808
SMILES: CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)Cl)C(=O)OCC)C(C)SCN)C
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Product OPENEYE NAME: N-(1,4-dihydropyridin-2-ylmethylsulfanylmethyl)-2-hydroxy-benzamide
CAS Name: N-[(1,4-dihydropyridin-2-ylmethylthio)methyl]-2-hydroxybenzamide
IUPAC NAME: N-(1,4-dihydropyridin-2-ylmethylsulfanylmethyl)-2-hydroxybenzamide
SYSTEMATIC NAME: N-(1,4-dihydropyridin-2-ylmethylsulfanylmethyl)-2-oxidanyl-benzamide
MOLECULAR FORMULA: C14H16N2O2S
MOLECULAR WEIGHT: 276.35404
SMILES: C1C=CNC(=C1)CSCNC(=O)C2=CC=CC=C2O
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Product OPENEYE NAME: 3-(1,4-dihydropyridin-2-ylmethylsulfanylmethoxy)pyridine
CAS Name: 3-[(1,4-dihydropyridin-2-ylmethylthio)methoxy]pyridine
IUPAC NAME: 3-(1,4-dihydropyridin-2-ylmethylsulfanylmethoxy)pyridine
SYSTEMATIC NAME: 3-(1,4-dihydropyridin-2-ylmethylsulfanylmethoxy)pyridine
MOLECULAR FORMULA: C12H14N2OS
MOLECULAR WEIGHT: 234.31736
SMILES: C1C=CNC(=C1)CSCOC2=CN=CC=C2
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Product OPENEYE NAME: dimethyl 2-[[ethoxy(3-pyridyl)methyl]sulfanylmethyl]-6-methyl-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
CAS Name: 2-[[[ethoxy(3-pyridinyl)methyl]thio]methyl]-6-methyl-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester
IUPAC NAME: dimethyl 2-[[ethoxy(pyridin-3-yl)methyl]sulfanylmethyl]-6-methyl-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
SYSTEMATIC NAME: dimethyl 2-[[ethoxy(pyridin-3-yl)methyl]sulfanylmethyl]-6-methyl-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
MOLECULAR FORMULA: C26H27F3N2O5S
MOLECULAR WEIGHT: 536.56319
SMILES: CCOC(C1=CN=CC=C1)SCC2=C(C(C(=C(N2)C)C(=O)OC)C3=CC(=CC=C3)C(F)(F)F)C(=O)OC
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Product OPENEYE NAME: 1,4-dihydropyridin-2-ylmethylsulfanyl-(4-nitrophenyl)methanol
CAS Name: (1,4-dihydropyridin-2-ylmethylthio)-(4-nitrophenyl)methanol
IUPAC NAME: 1,4-dihydropyridin-2-ylmethylsulfanyl-(4-nitrophenyl)methanol
SYSTEMATIC NAME: 1,4-dihydropyridin-2-ylmethylsulfanyl-(4-nitrophenyl)methanol
MOLECULAR FORMULA: C13H14N2O3S
MOLECULAR WEIGHT: 278.32686
SMILES: C1C=CNC(=C1)CSC(C2=CC=C(C=C2)[N+](=O)[O-])O
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Product OPENEYE NAME: N-(4H-pyridin-1-ylmethylsulfanylmethyl)benzohydrazide
CAS Name: N-[(4H-pyridin-1-ylmethylthio)methyl]benzohydrazide
IUPAC NAME: N-(4H-pyridin-1-ylmethylsulfanylmethyl)benzohydrazide
SYSTEMATIC NAME: N-(4H-pyridin-1-ylmethylsulfanylmethyl)benzohydrazide
MOLECULAR FORMULA: C14H17N3OS
MOLECULAR WEIGHT: 275.36928
SMILES: C1C=CN(C=C1)CSCN(C(=O)C2=CC=CC=C2)N
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Product OPENEYE NAME: N-[methylsulfanyl-[4-(3-nitrophenyl)-4H-pyridin-1-yl]methyl]acetamide
CAS Name: N-[(methylthio)-[4-(3-nitrophenyl)-4H-pyridin-1-yl]methyl]acetamide
IUPAC NAME: N-[methylsulfanyl-[4-(3-nitrophenyl)-4H-pyridin-1-yl]methyl]acetamide
SYSTEMATIC NAME: N-[methylsulfanyl-[4-(3-nitrophenyl)-4H-pyridin-1-yl]methyl]ethanamide
MOLECULAR FORMULA: C15H17N3O3S
MOLECULAR WEIGHT: 319.37878
SMILES: CC(=O)NC(N1C=CC(C=C1)C2=CC(=CC=C2)[N+](=O)[O-])SC
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Product OPENEYE NAME: heptyl 1-(4-methylhexyl)-3,4-diphenyl-cyclohexa-2,5-diene-1-carboxylate
CAS Name: 1-(4-methylhexyl)-3,4-diphenyl-1-cyclohexa-2,5-dienecarboxylic acid heptyl ester
IUPAC NAME: heptyl 1-(4-methylhexyl)-3,4-diphenylcyclohexa-2,5-diene-1-carboxylate
SYSTEMATIC NAME: heptyl 1-(4-methylhexyl)-3,4-diphenyl-cyclohexa-2,5-diene-1-carboxylate
MOLECULAR FORMULA: C33H44O2
MOLECULAR WEIGHT: 472.70126
SMILES: CCCCCCCOC(=O)C1(C=CC(C(=C1)C2=CC=CC=C2)C3=CC=CC=C3)CCCC(C)CC
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Product OPENEYE NAME: 3-(2-methylbutyl)-4-phenyl-benzoate
CAS Name: 3-(2-methylbutyl)-4-phenylbenzoate
IUPAC NAME: 3-(2-methylbutyl)-4-phenylbenzoate
SYSTEMATIC NAME: 3-(2-methylbutyl)-4-phenyl-benzoate
MOLECULAR FORMULA: C18H19O2-
MOLECULAR WEIGHT: 267.34226
SMILES: CCC(C)CC1=C(C=CC(=C1)C(=O)[O-])C2=CC=CC=C2
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Product OPENEYE NAME: 3-(5-ethyl-2-methyl-1,4-dihydroimidazol-5-yl)propanenitrile
CAS Name: 3-(5-ethyl-2-methyl-1,4-dihydroimidazol-5-yl)propanenitrile
IUPAC NAME: 3-(5-ethyl-2-methyl-1,4-dihydroimidazol-5-yl)propanenitrile
SYSTEMATIC NAME: 3-(5-ethyl-2-methyl-1,4-dihydroimidazol-5-yl)propanenitrile
MOLECULAR FORMULA: C9H15N3
MOLECULAR WEIGHT: 165.2355
SMILES: CCC1(CN=C(N1)C)CCC#N
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Product OPENEYE NAME: 1-methoxy-3-(2-methoxyphenoxy)-1-phenoxy-propane-1,2-diol
CAS Name: 1-methoxy-3-(2-methoxyphenoxy)-1-phenoxypropane-1,2-diol
IUPAC NAME: 1-methoxy-3-(2-methoxyphenoxy)-1-phenoxypropane-1,2-diol
SYSTEMATIC NAME: 1-methoxy-3-(2-methoxyphenoxy)-1-phenoxy-propane-1,2-diol
MOLECULAR FORMULA: C17H20O6
MOLECULAR WEIGHT: 320.3371
SMILES: COC1=CC=CC=C1OCC(C(O)(OC)OC2=CC=CC=C2)O
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Product OPENEYE NAME: diphenyl-(3,4,5-trifluoro-2-methyl-phenyl)phosphane
CAS Name: diphenyl-(3,4,5-trifluoro-2-methylphenyl)phosphine
IUPAC NAME: diphenyl-(3,4,5-trifluoro-2-methylphenyl)phosphane
SYSTEMATIC NAME: diphenyl-[3,4,5-tris(fluoranyl)-2-methyl-phenyl]phosphane
MOLECULAR FORMULA: C19H14F3P
MOLECULAR WEIGHT: 330.283431
SMILES: CC1=C(C=C(C(=C1F)F)F)P(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: tris(fluoromethyl)phosphane
CAS Name: tris(fluoromethyl)phosphine
IUPAC NAME: tris(fluoromethyl)phosphane
SYSTEMATIC NAME: tris(fluoranylmethyl)phosphane
MOLECULAR FORMULA: C3H6F3P
MOLECULAR WEIGHT: 130.048711
SMILES: C(F)P(CF)CF
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Product OPENEYE NAME: [2-[2-chloro-6-(2-diphenylphosphanylphenyl)-3-phosphanyl-phenyl]phenyl]-diphenyl-phosphane
CAS Name: [2-[2-chloro-6-(2-diphenylphosphinophenyl)-3-phosphinophenyl]phenyl]-diphenylphosphine
IUPAC NAME: [2-[2-chloro-6-(2-diphenylphosphanylphenyl)-3-phosphanylphenyl]phenyl]-diphenylphosphane
SYSTEMATIC NAME: [2-[2-chloranyl-6-(2-diphenylphosphanylphenyl)-3-phosphanyl-phenyl]phenyl]-diphenyl-phosphane
MOLECULAR FORMULA: C42H32ClP3
MOLECULAR WEIGHT: 665.077763
SMILES: C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3C4=C(C(=C(C=C4)P)Cl)C5=CC=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7
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Product OPENEYE NAME: 4-(1H-benzimidazol-2-yl)thiazole; dihydroxy(oxo)silane
CAS Name: 4-(1H-benzimidazol-2-yl)thiazole; dihydroxy(oxo)silane
IUPAC NAME: 4-(1H-benzimidazol-2-yl)-1,3-thiazole; dihydroxy(oxo)silane
SYSTEMATIC NAME: 4-(1H-benzimidazol-2-yl)-1,3-thiazole; bis(oxidanyl)-oxidanylidene-silane
MOLECULAR FORMULA: C10H9N3O3SSi
MOLECULAR WEIGHT: 279.34726
SMILES: C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3.O[Si](=O)O
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