CAS RN: 156465-93-9
CAS Name: (1S)-2-(2-imino-3-thiazolidinyl)-1-phenylethanol
OPENEYE Name: (1S)-2-(2-iminothiazolidin-3-yl)-1-phenyl-ethanol
IUPAC Name: (1S)-2-(2-imino-1,3-thiazolidin-3-yl)-1-phenylethanol
SYSTEMATIC NAME: (1S)-2-(2-azanylidene-1,3-thiazolidin-3-yl)-1-phenyl-ethanol
MOLECULAR FORMULA: C11H14N2OS
MOLECULAR WEIGHT: 222.30666
SMILES: C1CSC(=N)N1C[C@H](C2=CC=CC=C2)O
Structure:
CAS RN: 97181-03-8
CAS Name: (2E)-2-[5-(4-methoxyphenyl)-3-oxo-2-furanylidene]acetic acid ethyl ester
OPENEYE Name: ethyl (2E)-2-[5-(4-methoxyphenyl)-3-oxo-2-furylidene]acetate
IUPAC Name: ethyl (2E)-2-[5-(4-methoxyphenyl)-3-oxofuran-2-ylidene]acetate
SYSTEMATIC NAME: ethyl (2E)-2-[5-(4-methoxyphenyl)-3-oxidanylidene-furan-2-ylidene]ethanoate
MOLECULAR FORMULA: C15H14O5
MOLECULAR WEIGHT: 274.26866
SMILES: CCOC(=O)/C=C/1\C(=O)C=C(O1)C2=CC=C(C=C2)OC
Structure:
CAS RN: 5759-57-9
CAS Name: acetic acid [3-(4-oxo-3,1-benzoxazin-2-yl)phenyl] ester
OPENEYE Name: [3-(4-oxo-3,1-benzoxazin-2-yl)phenyl] acetate
IUPAC Name: [3-(4-oxo-3,1-benzoxazin-2-yl)phenyl] acetate
SYSTEMATIC NAME: [3-(4-oxidanylidene-3,1-benzoxazin-2-yl)phenyl] ethanoate
MOLECULAR FORMULA: C16H11NO4
MOLECULAR WEIGHT: 281.26284
SMILES: CC(=O)OC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=O)O2
Structure:
CAS RN: 41472-49-5
CAS Name: N-[2-(4-sulfamoylphenyl)ethyl]acetamide
OPENEYE Name: N-[2-(4-sulfamoylphenyl)ethyl]acetamide
IUPAC Name: N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SYSTEMATIC NAME: N-[2-(4-sulfamoylphenyl)ethyl]ethanamide
MOLECULAR FORMULA: C10H14N2O3S
MOLECULAR WEIGHT: 242.29476
SMILES: CC(=O)NCCC1=CC=C(C=C1)S(=O)(=O)N
Structure:
CAS RN: 107027-34-9
CAS Name: 8-methyl-2-phenyl-4-quinolinecarboxylic acid
OPENEYE Name: 8-methyl-2-phenyl-quinoline-4-carboxylic acid
IUPAC Name: 8-methyl-2-phenylquinoline-4-carboxylic acid
SYSTEMATIC NAME: 8-methyl-2-phenyl-quinoline-4-carboxylic acid
MOLECULAR FORMULA: C17H13NO2
MOLECULAR WEIGHT: 263.29062
SMILES: CC1=CC=CC2=C1N=C(C=C2C(=O)O)C3=CC=CC=C3
Structure:
CAS RN: 51713-28-1
CAS Name: 1-(1-naphthalenyl)-2-pyrrolidinone
OPENEYE Name: 1-(1-naphthyl)pyrrolidin-2-one
IUPAC Name: 1-naphthalen-1-ylpyrrolidin-2-one
SYSTEMATIC NAME: 1-naphthalen-1-ylpyrrolidin-2-one
MOLECULAR FORMULA: C14H13NO
MOLECULAR WEIGHT: 211.25912
SMILES: C1CC(=O)N(C1)C2=CC=CC3=CC=CC=C32
Structure:
CAS RN: 337925-64-1
CAS Name: N-[(4-chlorophenyl)methyl]-1-methyl-5-benzimidazolamine
OPENEYE Name: N-[(4-chlorophenyl)methyl]-1-methyl-benzimidazol-5-amine
IUPAC Name: N-[(4-chlorophenyl)methyl]-1-methylbenzimidazol-5-amine
SYSTEMATIC NAME: N-[(4-chlorophenyl)methyl]-1-methyl-benzimidazol-5-amine
MOLECULAR FORMULA: C15H14ClN3
MOLECULAR WEIGHT: 271.74476
SMILES: CN1C=NC2=C1C=CC(=C2)NCC3=CC=C(C=C3)Cl
Structure:
CAS RN: 18963-32-1
CAS Name: (E)-4-oxo-4-(4-sulfamoylanilino)-2-butenoic acid
OPENEYE Name: (E)-4-oxo-4-(4-sulfamoylanilino)but-2-enoic acid
IUPAC Name: (E)-4-oxo-4-(4-sulfamoylanilino)but-2-enoic acid
SYSTEMATIC NAME: (E)-4-oxidanylidene-4-[(4-sulfamoylphenyl)amino]but-2-enoic acid
MOLECULAR FORMULA: C10H10N2O5S
MOLECULAR WEIGHT: 270.2618
SMILES: C1=CC(=CC=C1NC(=O)/C=C/C(=O)O)S(=O)(=O)N
Structure:
CAS RN: 1886-79-9
CAS Name: (E)-4-oxo-4-(4-sulfamoylanilino)-2-butenoic acid
OPENEYE Name: (E)-4-oxo-4-(4-sulfamoylanilino)but-2-enoic acid
IUPAC Name: (E)-4-oxo-4-(4-sulfamoylanilino)but-2-enoic acid
SYSTEMATIC NAME: (E)-4-oxidanylidene-4-[(4-sulfamoylphenyl)amino]but-2-enoic acid
MOLECULAR FORMULA: C10H10N2O5S
MOLECULAR WEIGHT: 270.2618
SMILES: C1=CC(=CC=C1NC(=O)/C=C/C(=O)O)S(=O)(=O)N
Structure:
CAS RN: 5150-59-4
CAS Name: 2-acetamido-5-ethyl-3-thiophenecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-acetamido-5-ethyl-thiophene-3-carboxylate
IUPAC Name: ethyl 2-acetamido-5-ethylthiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-acetamido-5-ethyl-thiophene-3-carboxylate
MOLECULAR FORMULA: C11H15NO3S
MOLECULAR WEIGHT: 241.3067
SMILES: CCC1=CC(=C(S1)NC(=O)C)C(=O)OCC
Structure:
CAS RN: 5432-04-2
CAS Name: 4-[[(E)-3-carboxy-1-oxoprop-2-enyl]amino]benzoic acid
OPENEYE Name: 4-[[(E)-3-carboxyprop-2-enoyl]amino]benzoic acid
IUPAC Name: 4-[[(E)-3-carboxyprop-2-enoyl]amino]benzoic acid
SYSTEMATIC NAME: 4-[[(E)-4-oxidanyl-4-oxidanylidene-but-2-enoyl]amino]benzoic acid
MOLECULAR FORMULA: C11H9NO5
MOLECULAR WEIGHT: 235.19286
SMILES: C1=CC(=CC=C1C(=O)O)NC(=O)/C=C/C(=O)O
Structure:
CAS RN: 51009-65-5
CAS Name: (5E)-5-[[4-(diethylamino)phenyl]methylidene]-2-sulfanylidene-4-imidazolidinone
OPENEYE Name: (5E)-5-[[4-(diethylamino)phenyl]methylene]-2-thioxo-imidazolidin-4-one
IUPAC Name: (5E)-5-[[4-(diethylamino)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one
SYSTEMATIC NAME: (5E)-5-[[4-(diethylamino)phenyl]methylidene]-2-sulfanylidene-imidazolidin-4-one
MOLECULAR FORMULA: C14H17N3OS
MOLECULAR WEIGHT: 275.36928
SMILES: CCN(CC)C1=CC=C(C=C1)/C=C/2\C(=O)NC(=S)N2
Structure:
CAS RN: 5684-12-8
CAS Name: 2,6-bis[(dimethylamino)methyl]-4-methoxyphenol
OPENEYE Name: 2,6-bis[(dimethylamino)methyl]-4-methoxy-phenol
IUPAC Name: 2,6-bis[(dimethylamino)methyl]-4-methoxyphenol
SYSTEMATIC NAME: 2,6-bis[(dimethylamino)methyl]-4-methoxy-phenol
MOLECULAR FORMULA: C13H22N2O2
MOLECULAR WEIGHT: 238.32598
SMILES: CN(C)CC1=CC(=CC(=C1O)CN(C)C)OC
Structure:
CAS RN: 17329-32-7
CAS Name: 2-(2-hydroxyethyl)-1,3-dioxo-5-isoindolecarboxylic acid
OPENEYE Name: 2-(2-hydroxyethyl)-1,3-dioxo-isoindoline-5-carboxylic acid
IUPAC Name: 2-(2-hydroxyethyl)-1,3-dioxoisoindole-5-carboxylic acid
SYSTEMATIC NAME: 2-(2-hydroxyethyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid
MOLECULAR FORMULA: C11H9NO5
MOLECULAR WEIGHT: 235.19286
SMILES: C1=CC2=C(C=C1C(=O)O)C(=O)N(C2=O)CCO
Structure:
CAS RN: 5212-40-8
CAS Name: 2-amino-4-ethyl-6-[[2-(4-methylphenyl)-2-oxoethyl]thio]pyridine-3,5-dicarbonitrile
OPENEYE Name: 2-amino-4-ethyl-6-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-pyridine-3,5-dicarbonitrile
IUPAC Name: 2-amino-4-ethyl-6-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridine-3,5-dicarbonitrile
SYSTEMATIC NAME: 2-azanyl-4-ethyl-6-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-pyridine-3,5-dicarbonitrile
MOLECULAR FORMULA: C18H16N4OS
MOLECULAR WEIGHT: 336.41084
SMILES: CCC1=C(C(=NC(=C1C#N)SCC(=O)C2=CC=C(C=C2)C)N)C#N
Structure:
CAS RN: 5118-97-8
CAS Name: (2-chloro-4,5-difluorophenyl)-(3,5-dimethyl-1-pyrazolyl)methanone
OPENEYE Name: (2-chloro-4,5-difluoro-phenyl)-(3,5-dimethylpyrazol-1-yl)methanone
IUPAC Name: (2-chloro-4,5-difluorophenyl)-(3,5-dimethylpyrazol-1-yl)methanone
SYSTEMATIC NAME: [2-chloranyl-4,5-bis(fluoranyl)phenyl]-(3,5-dimethylpyrazol-1-yl)methanone
MOLECULAR FORMULA: C12H9ClF2N2O
MOLECULAR WEIGHT: 270.662466
SMILES: CC1=CC(=NN1C(=O)C2=CC(=C(C=C2Cl)F)F)C
Structure:
CAS RN: 6097-11-6
CAS Name: 5-hydroxy-2-[(2-methyl-1-oxopropyl)amino]benzoic acid
OPENEYE Name: 5-hydroxy-2-(2-methylpropanoylamino)benzoic acid
IUPAC Name: 5-hydroxy-2-(2-methylpropanoylamino)benzoic acid
SYSTEMATIC NAME: 2-(2-methylpropanoylamino)-5-oxidanyl-benzoic acid
MOLECULAR FORMULA: C11H13NO4
MOLECULAR WEIGHT: 223.22522
SMILES: CC(C)C(=O)NC1=C(C=C(C=C1)O)C(=O)O
Structure:
CAS RN: 23111-45-7
CAS Name: 4-(2,4-dimethoxyphenyl)-2-thiazolamine
OPENEYE Name: 4-(2,4-dimethoxyphenyl)thiazol-2-amine
IUPAC Name: 4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine
SYSTEMATIC NAME: 4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine
MOLECULAR FORMULA: C11H12N2O2S
MOLECULAR WEIGHT: 236.29018
SMILES: COC1=CC(=C(C=C1)C2=CSC(=N2)N)OC
Structure:
CAS RN: 6048-92-6
CAS Name: 3-(4-chlorophenyl)-2-methyl-7-nitro-4-quinazolinone
OPENEYE Name: 3-(4-chlorophenyl)-2-methyl-7-nitro-quinazolin-4-one
IUPAC Name: 3-(4-chlorophenyl)-2-methyl-7-nitroquinazolin-4-one
SYSTEMATIC NAME: 3-(4-chlorophenyl)-2-methyl-7-nitro-quinazolin-4-one
MOLECULAR FORMULA: C15H10ClN3O3
MOLECULAR WEIGHT: 315.7112
SMILES: CC1=NC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)N1C3=CC=C(C=C3)Cl
Structure:
CAS RN: 4648-33-3
CAS Name: 1-[(E)-2-(4-methoxyphenyl)ethenyl]-4-nitrobenzene
OPENEYE Name: 1-[(E)-2-(4-methoxyphenyl)vinyl]-4-nitro-benzene
IUPAC Name: 1-[(E)-2-(4-methoxyphenyl)ethenyl]-4-nitrobenzene
SYSTEMATIC NAME: 1-[(E)-2-(4-methoxyphenyl)ethenyl]-4-nitro-benzene
MOLECULAR FORMULA: C15H13NO3
MOLECULAR WEIGHT: 255.26862
SMILES: COC1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 1472-68-0
CAS Name: 1-[(E)-2-(4-methoxyphenyl)ethenyl]-4-nitrobenzene
OPENEYE Name: 1-[(E)-2-(4-methoxyphenyl)vinyl]-4-nitro-benzene
IUPAC Name: 1-[(E)-2-(4-methoxyphenyl)ethenyl]-4-nitrobenzene
SYSTEMATIC NAME: 1-[(E)-2-(4-methoxyphenyl)ethenyl]-4-nitro-benzene
MOLECULAR FORMULA: C15H13NO3
MOLECULAR WEIGHT: 255.26862
SMILES: COC1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 5602-84-6
CAS Name: 1-(4-ethoxyphenyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylic acid ethyl ester
OPENEYE Name: ethyl 1-(4-ethoxyphenyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate
IUPAC Name: ethyl 1-(4-ethoxyphenyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate
SYSTEMATIC NAME: ethyl 1-(4-ethoxyphenyl)-5-methyl-2-oxidanylidene-3H-pyrrole-4-carboxylate
MOLECULAR FORMULA: C16H19NO4
MOLECULAR WEIGHT: 289.32636
SMILES: CCOC1=CC=C(C=C1)N2C(=C(CC2=O)C(=O)OCC)C
Structure:
CAS RN: 30119-32-5
CAS Name: 2-amino-1-(2-hydroxyethyl)-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-amino-1-(2-hydroxyethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
IUPAC Name: ethyl 2-amino-1-(2-hydroxyethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
SYSTEMATIC NAME: ethyl 2-azanyl-1-(2-hydroxyethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
MOLECULAR FORMULA: C15H16N4O3
MOLECULAR WEIGHT: 300.31254
SMILES: CCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CCO)N
Structure:
CAS RN: 52196-84-6
CAS Name: 2-(4-morpholinylmethyl)-5-(phenylmethyl)-3-pyridinol
OPENEYE Name: 5-benzyl-2-(morpholinomethyl)pyridin-3-ol
IUPAC Name: 5-benzyl-2-(morpholin-4-ylmethyl)pyridin-3-ol
SYSTEMATIC NAME: 2-(morpholin-4-ylmethyl)-5-(phenylmethyl)pyridin-3-ol
MOLECULAR FORMULA: C17H20N2O2
MOLECULAR WEIGHT: 284.3529
SMILES: C1COCCN1CC2=C(C=C(C=N2)CC3=CC=CC=C3)O
Structure:
CAS RN: 331950-30-2
CAS Name: 4-bromo-N-cyclopropylbenzenesulfonamide
OPENEYE Name: 4-bromo-N-cyclopropyl-benzenesulfonamide
IUPAC Name: 4-bromo-N-cyclopropylbenzenesulfonamide
SYSTEMATIC NAME: 4-bromanyl-N-cyclopropyl-benzenesulfonamide
MOLECULAR FORMULA: C9H10BrNO2S
MOLECULAR WEIGHT: 276.1502
SMILES: C1CC1NS(=O)(=O)C2=CC=C(C=C2)Br
Structure:
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