CAS RN: 120109-75-3
CAS Name: 2-amino-4-cyclopropyl-3-thiophenecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-amino-4-cyclopropyl-thiophene-3-carboxylate
IUPAC Name: ethyl 2-amino-4-cyclopropylthiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-azanyl-4-cyclopropyl-thiophene-3-carboxylate
MOLECULAR FORMULA: C10H13NO2S
MOLECULAR WEIGHT: 211.28072
SMILES: CCOC(=O)C1=C(SC=C1C2CC2)N
Structure:
CAS RN: 5745-04-0
CAS Name: 6-(1-naphthalenylmethylthio)-2H-1,2,4-triazine-3,5-dione
OPENEYE Name: 6-(1-naphthylmethylsulfanyl)-2H-1,2,4-triazine-3,5-dione
IUPAC Name: 6-(naphthalen-1-ylmethylsulfanyl)-2H-1,2,4-triazine-3,5-dione
SYSTEMATIC NAME: 6-(naphthalen-1-ylmethylsulfanyl)-2H-1,2,4-triazine-3,5-dione
MOLECULAR FORMULA: C14H11N3O2S
MOLECULAR WEIGHT: 285.32104
SMILES: C1=CC=C2C(=C1)C=CC=C2CSC3=NNC(=O)NC3=O
Structure:
CAS RN: 6941-72-6
CAS Name: 2-(7H-purin-6-ylthio)acetic acid ethyl ester
OPENEYE Name: ethyl 2-(7H-purin-6-ylsulfanyl)acetate
IUPAC Name: ethyl 2-(7H-purin-6-ylsulfanyl)acetate
SYSTEMATIC NAME: ethyl 2-(7H-purin-6-ylsulfanyl)ethanoate
MOLECULAR FORMULA: C9H10N4O2S
MOLECULAR WEIGHT: 238.2663
SMILES: CCOC(=O)CSC1=NC=NC2=C1NC=N2
Structure:
CAS RN: 100005-23-0
CAS Name: 2-amino-4-(4-methoxyphenyl)-5-methyl-3-thiophenecarbonitrile
OPENEYE Name: 2-amino-4-(4-methoxyphenyl)-5-methyl-thiophene-3-carbonitrile
IUPAC Name: 2-amino-4-(4-methoxyphenyl)-5-methylthiophene-3-carbonitrile
SYSTEMATIC NAME: 2-azanyl-4-(4-methoxyphenyl)-5-methyl-thiophene-3-carbonitrile
MOLECULAR FORMULA: C13H12N2OS
MOLECULAR WEIGHT: 244.31218
SMILES: CC1=C(C(=C(S1)N)C#N)C2=CC=C(C=C2)OC
Structure:
CAS RN: 99011-93-5
CAS Name: 2-amino-5-methyl-4-phenyl-3-thiophenecarbonitrile
OPENEYE Name: 2-amino-5-methyl-4-phenyl-thiophene-3-carbonitrile
IUPAC Name: 2-amino-5-methyl-4-phenylthiophene-3-carbonitrile
SYSTEMATIC NAME: 2-azanyl-5-methyl-4-phenyl-thiophene-3-carbonitrile
MOLECULAR FORMULA: C12H10N2S
MOLECULAR WEIGHT: 214.2862
SMILES: CC1=C(C(=C(S1)N)C#N)C2=CC=CC=C2
Structure:
CAS RN: 519016-79-6
CAS Name: 2-amino-5-methyl-4-(4-propylphenyl)-3-thiophenecarbonitrile
OPENEYE Name: 2-amino-5-methyl-4-(4-propylphenyl)thiophene-3-carbonitrile
IUPAC Name: 2-amino-5-methyl-4-(4-propylphenyl)thiophene-3-carbonitrile
SYSTEMATIC NAME: 2-azanyl-5-methyl-4-(4-propylphenyl)thiophene-3-carbonitrile
MOLECULAR FORMULA: C15H16N2S
MOLECULAR WEIGHT: 256.36594
SMILES: CCCC1=CC=C(C=C1)C2=C(SC(=C2C#N)N)C
Structure:
CAS RN: 519016-78-5
CAS Name: 2-amino-4-(2,4-dichlorophenyl)-5-methyl-3-thiophenecarbonitrile
OPENEYE Name: 2-amino-4-(2,4-dichlorophenyl)-5-methyl-thiophene-3-carbonitrile
IUPAC Name: 2-amino-4-(2,4-dichlorophenyl)-5-methylthiophene-3-carbonitrile
SYSTEMATIC NAME: 2-azanyl-4-(2,4-dichlorophenyl)-5-methyl-thiophene-3-carbonitrile
MOLECULAR FORMULA: C12H8Cl2N2S
MOLECULAR WEIGHT: 283.17632
SMILES: CC1=C(C(=C(S1)N)C#N)C2=C(C=C(C=C2)Cl)Cl
Structure:
CAS RN: 519016-80-9
CAS Name: 2-amino-5-methyl-4-(4-propan-2-ylphenyl)-3-thiophenecarbonitrile
OPENEYE Name: 2-amino-4-(4-isopropylphenyl)-5-methyl-thiophene-3-carbonitrile
IUPAC Name: 2-amino-5-methyl-4-(4-propan-2-ylphenyl)thiophene-3-carbonitrile
SYSTEMATIC NAME: 2-azanyl-5-methyl-4-(4-propan-2-ylphenyl)thiophene-3-carbonitrile
MOLECULAR FORMULA: C15H16N2S
MOLECULAR WEIGHT: 256.36594
SMILES: CC1=C(C(=C(S1)N)C#N)C2=CC=C(C=C2)C(C)C
Structure:
CAS RN: 438613-84-4
CAS Name: 2-amino-5-methyl-4-(4-methylphenyl)-3-thiophenecarbonitrile
OPENEYE Name: 2-amino-5-methyl-4-(p-tolyl)thiophene-3-carbonitrile
IUPAC Name: 2-amino-5-methyl-4-(4-methylphenyl)thiophene-3-carbonitrile
SYSTEMATIC NAME: 2-azanyl-5-methyl-4-(4-methylphenyl)thiophene-3-carbonitrile
MOLECULAR FORMULA: C13H12N2S
MOLECULAR WEIGHT: 228.31278
SMILES: CC1=CC=C(C=C1)C2=C(SC(=C2C#N)N)C
Structure:
CAS RN: 438218-65-6
CAS Name: 2-amino-4-[4-(2-methylpropyl)phenyl]-3-thiophenecarbonitrile
OPENEYE Name: 2-amino-4-(4-isobutylphenyl)thiophene-3-carbonitrile
IUPAC Name: 2-amino-4-[4-(2-methylpropyl)phenyl]thiophene-3-carbonitrile
SYSTEMATIC NAME: 2-azanyl-4-[4-(2-methylpropyl)phenyl]thiophene-3-carbonitrile
MOLECULAR FORMULA: C15H16N2S
MOLECULAR WEIGHT: 256.36594
SMILES: CC(C)CC1=CC=C(C=C1)C2=CSC(=C2C#N)N
Structure:
CAS RN: 438219-18-2
CAS Name: 2-amino-4-(3,4-dimethylphenyl)-5-methyl-3-thiophenecarbonitrile
OPENEYE Name: 2-amino-4-(3,4-dimethylphenyl)-5-methyl-thiophene-3-carbonitrile
IUPAC Name: 2-amino-4-(3,4-dimethylphenyl)-5-methylthiophene-3-carbonitrile
SYSTEMATIC NAME: 2-azanyl-4-(3,4-dimethylphenyl)-5-methyl-thiophene-3-carbonitrile
MOLECULAR FORMULA: C14H14N2S
MOLECULAR WEIGHT: 242.33936
SMILES: CC1=C(C=C(C=C1)C2=C(SC(=C2C#N)N)C)C
Structure:
CAS RN: 1485-00-3
CAS Name: 5-[(E)-2-nitroethenyl]-1,3-benzodioxole
OPENEYE Name: 5-[(E)-2-nitrovinyl]-1,3-benzodioxole
IUPAC Name: 5-[(E)-2-nitroethenyl]-1,3-benzodioxole
SYSTEMATIC NAME: 5-[(E)-2-nitroethenyl]-1,3-benzodioxole
MOLECULAR FORMULA: C9H7NO4
MOLECULAR WEIGHT: 193.15618
SMILES: C1OC2=C(O1)C=C(C=C2)/C=C/[N+](=O)[O-]
Structure:
CAS RN: 39816-35-8
CAS Name: 2-methoxy-5-[(E)-2-nitroethenyl]phenol
OPENEYE Name: 2-methoxy-5-[(E)-2-nitrovinyl]phenol
IUPAC Name: 2-methoxy-5-[(E)-2-nitroethenyl]phenol
SYSTEMATIC NAME: 2-methoxy-5-[(E)-2-nitroethenyl]phenol
MOLECULAR FORMULA: C9H9NO4
MOLECULAR WEIGHT: 195.17206
SMILES: COC1=C(C=C(C=C1)/C=C/[N+](=O)[O-])O
Structure:
CAS RN: 23336-93-8
CAS Name: (3Z)-3-[2-(4-chlorophenyl)-2-oxoethylidene]-1H-indol-2-one
OPENEYE Name: (3Z)-3-[2-(4-chlorophenyl)-2-oxo-ethylidene]indolin-2-one
IUPAC Name: (3Z)-3-[2-(4-chlorophenyl)-2-oxoethylidene]-1H-indol-2-one
SYSTEMATIC NAME: (3Z)-3-[2-(4-chlorophenyl)-2-oxidanylidene-ethylidene]-1H-indol-2-one
MOLECULAR FORMULA: C16H10ClNO2
MOLECULAR WEIGHT: 283.7091
SMILES: C1=CC=C2C(=C1)/C(=C/C(=O)C3=CC=C(C=C3)Cl)/C(=O)N2
Structure:
CAS RN: 329715-35-7
CAS Name: 4-(1,3-dihydroisoindol-2-yl)benzoic acid
OPENEYE Name: 4-isoindolin-2-ylbenzoic acid
IUPAC Name: 4-(1,3-dihydroisoindol-2-yl)benzoic acid
SYSTEMATIC NAME: 4-(1,3-dihydroisoindol-2-yl)benzoic acid
MOLECULAR FORMULA: C15H13NO2
MOLECULAR WEIGHT: 239.26922
SMILES: C1C2=CC=CC=C2CN1C3=CC=C(C=C3)C(=O)O
Structure:
CAS RN: 6339-41-9
CAS Name: N-(4-oxo-2-thiazolyl)-10-phenothiazinecarboxamide
OPENEYE Name: N-(4-oxothiazol-2-yl)phenothiazine-10-carboxamide
IUPAC Name: N-(4-oxo-1,3-thiazol-2-yl)phenothiazine-10-carboxamide
SYSTEMATIC NAME: N-(4-oxidanylidene-1,3-thiazol-2-yl)phenothiazine-10-carboxamide
MOLECULAR FORMULA: C16H11N3O2S2
MOLECULAR WEIGHT: 341.40744
SMILES: C1C(=O)N=C(S1)NC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42
Structure:
CAS RN: 435342-04-4
CAS Name: 5-tert-butyl-2-methyl-4-(4-morpholinylmethyl)-3-furancarboxylic acid
OPENEYE Name: 5-tert-butyl-2-methyl-4-(morpholinomethyl)furan-3-carboxylic acid
IUPAC Name: 5-tert-butyl-2-methyl-4-(morpholin-4-ylmethyl)furan-3-carboxylic acid
SYSTEMATIC NAME: 5-tert-butyl-2-methyl-4-(morpholin-4-ylmethyl)furan-3-carboxylic acid
MOLECULAR FORMULA: C15H23NO4
MOLECULAR WEIGHT: 281.34742
SMILES: CC1=C(C(=C(O1)C(C)(C)C)CN2CCOCC2)C(=O)O
Structure:
CAS RN: 435341-95-0
CAS Name: 5-(4-morpholinylmethyl)-2-phenyl-3-furancarboxylic acid
OPENEYE Name: 5-(morpholinomethyl)-2-phenyl-furan-3-carboxylic acid
IUPAC Name: 5-(morpholin-4-ylmethyl)-2-phenylfuran-3-carboxylic acid
SYSTEMATIC NAME: 5-(morpholin-4-ylmethyl)-2-phenyl-furan-3-carboxylic acid
MOLECULAR FORMULA: C16H17NO4
MOLECULAR WEIGHT: 287.31048
SMILES: C1COCCN1CC2=CC(=C(O2)C3=CC=CC=C3)C(=O)O
Structure:
CAS RN: 59898-59-8
CAS Name: 3,5,6-trimethyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
OPENEYE Name: 3,5,6-trimethyl-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one
IUPAC Name: 3,5,6-trimethyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 3,5,6-trimethyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C9H10N2OS2
MOLECULAR WEIGHT: 226.3185
SMILES: CC1=C(SC2=C1C(=O)N(C(=S)N2)C)C
Structure:
CAS RN: 71576-06-2
CAS Name: N-(4-phenyl-2-thiazolyl)carbamic acid phenyl ester
OPENEYE Name: phenyl N-(4-phenylthiazol-2-yl)carbamate
IUPAC Name: phenyl N-(4-phenyl-1,3-thiazol-2-yl)carbamate
SYSTEMATIC NAME: phenyl N-(4-phenyl-1,3-thiazol-2-yl)carbamate
MOLECULAR FORMULA: C16H12N2O2S
MOLECULAR WEIGHT: 296.34368
SMILES: C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)OC3=CC=CC=C3
Structure:
CAS RN: 29582-39-6
CAS Name: (E)-4-(4-chlorophenyl)-4-oxo-2-butenoic acid
OPENEYE Name: (E)-4-(4-chlorophenyl)-4-oxo-but-2-enoic acid
IUPAC Name: (E)-4-(4-chlorophenyl)-4-oxobut-2-enoic acid
SYSTEMATIC NAME: (E)-4-(4-chlorophenyl)-4-oxidanylidene-but-2-enoic acid
MOLECULAR FORMULA: C10H7ClO3
MOLECULAR WEIGHT: 210.61378
SMILES: C1=CC(=CC=C1C(=O)/C=C/C(=O)O)Cl
Structure:
CAS RN: 6269-33-6
CAS Name: (E)-4-(4-chlorophenyl)-4-oxo-2-butenoic acid
OPENEYE Name: (E)-4-(4-chlorophenyl)-4-oxo-but-2-enoic acid
IUPAC Name: (E)-4-(4-chlorophenyl)-4-oxobut-2-enoic acid
SYSTEMATIC NAME: (E)-4-(4-chlorophenyl)-4-oxidanylidene-but-2-enoic acid
MOLECULAR FORMULA: C10H7ClO3
MOLECULAR WEIGHT: 210.61378
SMILES: C1=CC(=CC=C1C(=O)/C=C/C(=O)O)Cl
Structure:
CAS RN: 40796-97-2
CAS Name: 3,5-dichlorobenzoic acid [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester
OPENEYE Name: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3,5-dichlorobenzoate
IUPAC Name: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3,5-dichlorobenzoate
SYSTEMATIC NAME: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3,5-bis(chloranyl)benzoate
MOLECULAR FORMULA: C15H17Cl2NO2
MOLECULAR WEIGHT: 314.20698
SMILES: CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C3=CC(=CC(=C3)Cl)Cl
Structure:
CAS RN: 5133-36-8
CAS Name: 4-bromo-1-cyclopropyl-2-nitrobenzene
OPENEYE Name: 4-bromo-1-cyclopropyl-2-nitro-benzene
IUPAC Name: 4-bromo-1-cyclopropyl-2-nitrobenzene
SYSTEMATIC NAME: 4-bromanyl-1-cyclopropyl-2-nitro-benzene
MOLECULAR FORMULA: C9H8BrNO2
MOLECULAR WEIGHT: 242.06932
SMILES: C1CC1C2=C(C=C(C=C2)Br)[N+](=O)[O-]
Structure:
CAS RN: 17174-03-7
CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)amino]benzoic acid
OPENEYE Name: 2-[(4,6-dimethylpyrimidin-2-yl)amino]benzoic acid
IUPAC Name: 2-[(4,6-dimethylpyrimidin-2-yl)amino]benzoic acid
SYSTEMATIC NAME: 2-[(4,6-dimethylpyrimidin-2-yl)amino]benzoic acid
MOLECULAR FORMULA: C13H13N3O2
MOLECULAR WEIGHT: 243.26122
SMILES: CC1=CC(=NC(=N1)NC2=CC=CC=C2C(=O)O)C
Structure:
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