CAS RN: 147123-68-0
CAS Name: 3-chloro-2-thiophenecarboxamide
OPENEYE Name: 3-chlorothiophene-2-carboxamide
IUPAC Name: 3-chlorothiophene-2-carboxamide
SYSTEMATIC NAME: 3-chloranylthiophene-2-carboxamide
MOLECULAR FORMULA: C5H4ClNOS
MOLECULAR WEIGHT: 161.60936
SMILES: C1=CSC(=C1Cl)C(=O)N
Structure:
CAS RN: 105707-24-2
CAS Name: 1-(3-amino-5-phenyl-2-thiophenyl)ethanone
OPENEYE Name: 1-(3-amino-5-phenyl-2-thienyl)ethanone
IUPAC Name: 1-(3-amino-5-phenylthiophen-2-yl)ethanone
SYSTEMATIC NAME: 1-(3-azanyl-5-phenyl-thiophen-2-yl)ethanone
MOLECULAR FORMULA: C12H11NOS
MOLECULAR WEIGHT: 217.28684
SMILES: CC(=O)C1=C(C=C(S1)C2=CC=CC=C2)N
Structure:
CAS RN: 65095-75-2
CAS Name: 3-[4-amino-2-(methylthio)-5-thiazolyl]-3-oxopropanoic acid ethyl ester
OPENEYE Name: ethyl 3-(4-amino-2-methylsulfanyl-thiazol-5-yl)-3-oxo-propanoate
IUPAC Name: ethyl 3-(4-amino-2-methylsulfanyl-1,3-thiazol-5-yl)-3-oxopropanoate
SYSTEMATIC NAME: ethyl 3-(4-azanyl-2-methylsulfanyl-1,3-thiazol-5-yl)-3-oxidanylidene-propanoate
MOLECULAR FORMULA: C9H12N2O3S2
MOLECULAR WEIGHT: 260.33318
SMILES: CCOC(=O)CC(=O)C1=C(N=C(S1)SC)N
Structure:
CAS RN: 54346-18-8
CAS Name: 2-(methylthio)-6H-pyrazolo[1,5-a][1,3,5]triazin-4-one
OPENEYE Name: 2-methylsulfanyl-6H-pyrazolo[1,5-a][1,3,5]triazin-4-one
IUPAC Name: 2-methylsulfanyl-6H-pyrazolo[1,5-a][1,3,5]triazin-4-one
SYSTEMATIC NAME: 2-methylsulfanyl-6H-pyrazolo[1,5-a][1,3,5]triazin-4-one
MOLECULAR FORMULA: C6H6N4OS
MOLECULAR WEIGHT: 182.20304
SMILES: CSC1=NC(=O)N2C(=N1)C=CN2
Structure:
CAS RN: 4748-68-9
CAS Name: 2-[[2-hydroxyimino-2-(4-nitrophenyl)ethyl]thio]benzoic acid
OPENEYE Name: 2-[2-hydroxyimino-2-(4-nitrophenyl)ethyl]sulfanylbenzoic acid
IUPAC Name: 2-[2-hydroxyimino-2-(4-nitrophenyl)ethyl]sulfanylbenzoic acid
SYSTEMATIC NAME: 2-[2-hydroxyimino-2-(4-nitrophenyl)ethyl]sulfanylbenzoic acid
MOLECULAR FORMULA: C15H12N2O5S
MOLECULAR WEIGHT: 332.33118
SMILES: C1=CC=C(C(=C1)C(=O)O)SCC(=NO)C2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 16564-43-5
CAS Name: sodium 2-[[4-(3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-1-oxopentyl]amino]acetate
OPENEYE Name: sodium 2-[4-(3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoylamino]acetate
IUPAC Name: sodium 2-[4-(3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoylamino]acetate
SYSTEMATIC NAME: sodium 2-[4-[10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoylamino]ethanoate
MOLECULAR FORMULA: C26H42NNaO5
MOLECULAR WEIGHT: 471.60515
SMILES: CC(CCC(=O)NCC(=O)[O-])C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C.[Na+]
Structure:
CAS RN: 51345-84-7
CAS Name: 3-(4-morpholinyl)-1-(4-phenylmethoxyphenyl)-1-propanone hydrochloride
OPENEYE Name: 1-(4-benzyloxyphenyl)-3-morpholino-propan-1-one hydrochloride
IUPAC Name: 3-morpholin-4-yl-1-(4-phenylmethoxyphenyl)propan-1-one hydrochloride
SYSTEMATIC NAME: 3-morpholin-4-yl-1-(4-phenylmethoxyphenyl)propan-1-one hydrochloride
MOLECULAR FORMULA: C20H24ClNO3
MOLECULAR WEIGHT: 361.86246
SMILES: C1COCCN1CCC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3.Cl
Structure:
CAS RN: 1646-32-8
CAS Name: 1-(5-chloro-2-benzofuranyl)ethanone
OPENEYE Name: 1-(5-chlorobenzofuran-2-yl)ethanone
IUPAC Name: 1-(5-chloro-1-benzofuran-2-yl)ethanone
SYSTEMATIC NAME: 1-(5-chloranyl-1-benzofuran-2-yl)ethanone
MOLECULAR FORMULA: C10H7ClO2
MOLECULAR WEIGHT: 194.61438
SMILES: CC(=O)C1=CC2=C(O1)C=CC(=C2)Cl
Structure:
CAS RN: 58326-37-7
CAS Name: 1,3,4-thiadiazol-2-ylthiourea
OPENEYE Name: 1,3,4-thiadiazol-2-ylthiourea
IUPAC Name: 1,3,4-thiadiazol-2-ylthiourea
SYSTEMATIC NAME: 1-(1,3,4-thiadiazol-2-yl)thiourea
MOLECULAR FORMULA: C3H4N4S2
MOLECULAR WEIGHT: 160.22066
SMILES: C1=NN=C(S1)NC(=S)N
Structure:
CAS RN: 4748-07-6
CAS Name: 2-benzamido-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
OPENEYE Name: 2-benzamido-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
IUPAC Name: 2-benzamido-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
SYSTEMATIC NAME: 2-benzamido-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
MOLECULAR FORMULA: C17H11F3N4O2S
MOLECULAR WEIGHT: 392.35505
SMILES: C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NC3=NN=C(S3)C(F)(F)F
Structure:
CAS RN: 6601-05-4
CAS Name: 5-[2-(diethylamino)ethyl]-1,3,5-triazinane-2-thione
OPENEYE Name: 5-[2-(diethylamino)ethyl]-1,3,5-triazinane-2-thione
IUPAC Name: 5-[2-(diethylamino)ethyl]-1,3,5-triazinane-2-thione
SYSTEMATIC NAME: 5-[2-(diethylamino)ethyl]-1,3,5-triazinane-2-thione
MOLECULAR FORMULA: C9H20N4S
MOLECULAR WEIGHT: 216.3469
SMILES: CCN(CC)CCN1CNC(=S)NC1
Structure:
CAS RN: 89138-39-6
CAS Name: 5-(2-hydroxypropyl)-1,3,5-triazinane-2-thione
OPENEYE Name: 5-(2-hydroxypropyl)-1,3,5-triazinane-2-thione
IUPAC Name: 5-(2-hydroxypropyl)-1,3,5-triazinane-2-thione
SYSTEMATIC NAME: 5-(2-oxidanylpropyl)-1,3,5-triazinane-2-thione
MOLECULAR FORMULA: C6H13N3OS
MOLECULAR WEIGHT: 175.25192
SMILES: CC(CN1CNC(=S)NC1)O
Structure:
CAS RN: 6097-27-4
CAS Name: thiocyanic acid [2-(4-methylphenyl)-2-oxoethyl] ester
OPENEYE Name: [2-oxo-2-(p-tolyl)ethyl] thiocyanate
IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] thiocyanate
SYSTEMATIC NAME: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] thiocyanate
MOLECULAR FORMULA: C10H9NOS
MOLECULAR WEIGHT: 191.24956
SMILES: CC1=CC=C(C=C1)C(=O)CSC#N
Structure:
CAS RN: 6340-16-5
CAS Name: 1,3-bis[(4-chlorophenyl)methylideneamino]thiourea
OPENEYE Name: 1,3-bis[(4-chlorophenyl)methyleneamino]thiourea
IUPAC Name: 1,3-bis[(4-chlorophenyl)methylideneamino]thiourea
SYSTEMATIC NAME: 1,3-bis[(4-chlorophenyl)methylideneamino]thiourea
MOLECULAR FORMULA: C15H12Cl2N4S
MOLECULAR WEIGHT: 351.25358
SMILES: C1=CC(=CC=C1C=NNC(=S)NN=CC2=CC=C(C=C2)Cl)Cl
Structure:
CAS RN: 42785-81-9
CAS Name: 1-(2-methylbut-3-yn-2-yl)-3-phenylurea
OPENEYE Name: 1-(1,1-dimethylprop-2-ynyl)-3-phenyl-urea
IUPAC Name: 1-(2-methylbut-3-yn-2-yl)-3-phenylurea
SYSTEMATIC NAME: 1-(2-methylbut-3-yn-2-yl)-3-phenyl-urea
MOLECULAR FORMULA: C12H14N2O
MOLECULAR WEIGHT: 202.25236
SMILES: CC(C)(C#C)NC(=O)NC1=CC=CC=C1
Structure:
CAS RN: 5357-46-0
CAS Name: 1-(2,5-dichlorophenyl)sulfonyl-2-methylpiperidine
OPENEYE Name: 1-(2,5-dichlorophenyl)sulfonyl-2-methyl-piperidine
IUPAC Name: 1-(2,5-dichlorophenyl)sulfonyl-2-methylpiperidine
SYSTEMATIC NAME: 1-[2,5-bis(chloranyl)phenyl]sulfonyl-2-methyl-piperidine
MOLECULAR FORMULA: C12H15Cl2NO2S
MOLECULAR WEIGHT: 308.224
SMILES: CC1CCCCN1S(=O)(=O)C2=C(C=CC(=C2)Cl)Cl
Structure:
CAS RN: 26475-39-8
CAS Name: 2-methyl-1,4-oxathiane 4,4-dioxide
OPENEYE Name: 2-methyl-1,4-oxathiane 4,4-dioxide
IUPAC Name: 2-methyl-1,4-oxathiane 4,4-dioxide
SYSTEMATIC NAME: 2-methyl-1,4-oxathiane 4,4-dioxide
MOLECULAR FORMULA: C5H10O3S
MOLECULAR WEIGHT: 150.1961
SMILES: CC1CS(=O)(=O)CCO1
Structure:
CAS RN: 96232-39-2
CAS Name: (E)-3-(dimethylamino)-2-[oxo-[3-(trifluoromethyl)phenyl]methyl]-2-propenenitrile
OPENEYE Name: (E)-3-(dimethylamino)-2-[3-(trifluoromethyl)benzoyl]prop-2-enenitrile
IUPAC Name: (E)-3-(dimethylamino)-2-[3-(trifluoromethyl)benzoyl]prop-2-enenitrile
SYSTEMATIC NAME: (E)-3-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]carbonyl-prop-2-enenitrile
MOLECULAR FORMULA: C13H11F3N2O
MOLECULAR WEIGHT: 268.23445
SMILES: CN(C)/C=C(\C#N)/C(=O)C1=CC(=CC=C1)C(F)(F)F
Structure:
CAS RN: 667400-41-1
CAS Name: 4-(4-chlorophenyl)-5-methyl-1H-pyrazole
OPENEYE Name: 4-(4-chlorophenyl)-5-methyl-1H-pyrazole
IUPAC Name: 4-(4-chlorophenyl)-5-methyl-1H-pyrazole
SYSTEMATIC NAME: 4-(4-chlorophenyl)-5-methyl-1H-pyrazole
MOLECULAR FORMULA: C10H9ClN2
MOLECULAR WEIGHT: 192.64486
SMILES: CC1=C(C=NN1)C2=CC=C(C=C2)Cl
Structure:
CAS RN: 71849-98-4
CAS Name: 2,6-dichlorobenzoic acid phenyl ester
OPENEYE Name: phenyl 2,6-dichlorobenzoate
IUPAC Name: phenyl 2,6-dichlorobenzoate
SYSTEMATIC NAME: phenyl 2,6-bis(chloranyl)benzoate
MOLECULAR FORMULA: C13H8Cl2O2
MOLECULAR WEIGHT: 267.10742
SMILES: C1=CC=C(C=C1)OC(=O)C2=C(C=CC=C2Cl)Cl
Structure:
CAS RN: 27917-77-7
CAS Name: 4-[(4-chlorophenyl)thio]-3-nitrobenzonitrile
OPENEYE Name: 4-(4-chlorophenyl)sulfanyl-3-nitro-benzonitrile
IUPAC Name: 4-(4-chlorophenyl)sulfanyl-3-nitrobenzonitrile
SYSTEMATIC NAME: 4-(4-chlorophenyl)sulfanyl-3-nitro-benzenecarbonitrile
MOLECULAR FORMULA: C13H7ClN2O2S
MOLECULAR WEIGHT: 290.72488
SMILES: C1=CC(=CC=C1SC2=C(C=C(C=C2)C#N)[N+](=O)[O-])Cl
Structure:
CAS RN: 99304-37-7
CAS Name: 5-bromo-3-hydroxy-1,3-dihydroindol-2-one
OPENEYE Name: 5-bromo-3-hydroxy-indolin-2-one
IUPAC Name: 5-bromo-3-hydroxy-1,3-dihydroindol-2-one
SYSTEMATIC NAME: 5-bromanyl-3-oxidanyl-1,3-dihydroindol-2-one
MOLECULAR FORMULA: C8H6BrNO2
MOLECULAR WEIGHT: 228.04274
SMILES: C1=CC2=C(C=C1Br)C(C(=O)N2)O
Structure:
CAS RN: 52200-22-3
CAS Name: (E)-3-(dimethylamino)-2-[oxo(thiophen-2-yl)methyl]-2-propenenitrile
OPENEYE Name: (E)-3-(dimethylamino)-2-(thiophene-2-carbonyl)prop-2-enenitrile
IUPAC Name: (E)-3-(dimethylamino)-2-(thiophene-2-carbonyl)prop-2-enenitrile
SYSTEMATIC NAME: (E)-3-(dimethylamino)-2-thiophen-2-ylcarbonyl-prop-2-enenitrile
MOLECULAR FORMULA: C10H10N2OS
MOLECULAR WEIGHT: 206.2642
SMILES: CN(C)/C=C(\C#N)/C(=O)C1=CC=CS1
Structure:
CAS RN: 71463-49-5
CAS Name: 2,6-dichlorobenzoic acid (2,6-dichlorophenyl) ester
OPENEYE Name: (2,6-dichlorophenyl) 2,6-dichlorobenzoate
IUPAC Name: (2,6-dichlorophenyl) 2,6-dichlorobenzoate
SYSTEMATIC NAME: [2,6-bis(chloranyl)phenyl] 2,6-bis(chloranyl)benzoate
MOLECULAR FORMULA: C13H6Cl4O2
MOLECULAR WEIGHT: 335.99754
SMILES: C1=CC(=C(C(=C1)Cl)C(=O)OC2=C(C=CC=C2Cl)Cl)Cl
Structure:
CAS RN: 155632-41-0
CAS Name: 3,4-dimethylthiophene-2,5-dicarbonitrile
OPENEYE Name: 3,4-dimethylthiophene-2,5-dicarbonitrile
IUPAC Name: 3,4-dimethylthiophene-2,5-dicarbonitrile
SYSTEMATIC NAME: 3,4-dimethylthiophene-2,5-dicarbonitrile
MOLECULAR FORMULA: C8H6N2S
MOLECULAR WEIGHT: 162.21164
SMILES: CC1=C(SC(=C1C)C#N)C#N
Structure:
CAS RN: 92847-41-1
CAS Name: 1-(3-chlorophenyl)-5-oxo-3-pyrrolidinecarboxylic acid
OPENEYE Name: 1-(3-chlorophenyl)-5-oxo-pyrrolidine-3-carboxylic acid
IUPAC Name: 1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid
SYSTEMATIC NAME: 1-(3-chlorophenyl)-5-oxidanylidene-pyrrolidine-3-carboxylic acid
MOLECULAR FORMULA: C11H10ClNO3
MOLECULAR WEIGHT: 239.655
SMILES: C1C(CN(C1=O)C2=CC(=CC=C2)Cl)C(=O)O
Structure:
CAS RN: 61310-29-0
CAS Name: 2-pyridin-4-yl-4-pyrimidinamine
OPENEYE Name: 2-(4-pyridyl)pyrimidin-4-amine
IUPAC Name: 2-pyridin-4-ylpyrimidin-4-amine
SYSTEMATIC NAME: 2-pyridin-4-ylpyrimidin-4-amine
MOLECULAR FORMULA: C9H8N4
MOLECULAR WEIGHT: 172.18662
SMILES: C1=CN=CC=C1C2=NC=CC(=N2)N
Structure:
CAS RN: 4745-25-9
CAS Name: 4-[1-[1-[2-chloro-5-(trifluoromethyl)phenyl]-5-(4-morpholinyl)-4,5-dihydrotriazol-4-yl]ethyl]morpholine
OPENEYE Name: 4-[1-[1-[2-chloro-5-(trifluoromethyl)phenyl]-5-morpholino-4,5-dihydrotriazol-4-yl]ethyl]morpholine
IUPAC Name: 4-[1-[1-[2-chloro-5-(trifluoromethyl)phenyl]-5-morpholin-4-yl-4,5-dihydrotriazol-4-yl]ethyl]morpholine
SYSTEMATIC NAME: 4-[1-[1-[2-chloranyl-5-(trifluoromethyl)phenyl]-5-morpholin-4-yl-4,5-dihydro-1,2,3-triazol-4-yl]ethyl]morpholine
MOLECULAR FORMULA: C19H25ClF3N5O2
MOLECULAR WEIGHT: 447.88231
SMILES: CC(C1C(N(N=N1)C2=C(C=CC(=C2)C(F)(F)F)Cl)N3CCOCC3)N4CCOCC4
Structure:
CAS RN: 4744-56-3
CAS Name: 3,5-bis[(2,6-dichlorophenyl)methylthio]-4-isothiazolecarbonitrile
OPENEYE Name: 3,5-bis[(2,6-dichlorophenyl)methylsulfanyl]isothiazole-4-carbonitrile
IUPAC Name: 3,5-bis[(2,6-dichlorophenyl)methylsulfanyl]-1,2-thiazole-4-carbonitrile
SYSTEMATIC NAME: 3,5-bis[[2,6-bis(chloranyl)phenyl]methylsulfanyl]-1,2-thiazole-4-carbonitrile
MOLECULAR FORMULA: C18H10Cl4N2S3
MOLECULAR WEIGHT: 492.2924
SMILES: C1=CC(=C(C(=C1)Cl)CSC2=C(C(=NS2)SCC3=C(C=CC=C3Cl)Cl)C#N)Cl
Structure:
CAS RN: 1878-62-2
CAS Name: 2-(2-acetylphenoxy)acetic acid
OPENEYE Name: 2-(2-acetylphenoxy)acetic acid
IUPAC Name: 2-(2-acetylphenoxy)acetic acid
SYSTEMATIC NAME: 2-(2-ethanoylphenoxy)ethanoic acid
MOLECULAR FORMULA: C10H10O4
MOLECULAR WEIGHT: 194.184
SMILES: CC(=O)C1=CC=CC=C1OCC(=O)O
Structure:
CAS RN: 61894-11-9
CAS Name: 2-[(2-methoxyanilino)-oxomethyl]-3-bicyclo[2.2.1]hept-5-enecarboxylic acid
OPENEYE Name: 2-[(2-methoxyphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid
IUPAC Name: 2-[(2-methoxyphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid
SYSTEMATIC NAME: 2-[(2-methoxyphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid
MOLECULAR FORMULA: C16H17NO4
MOLECULAR WEIGHT: 287.31048
SMILES: COC1=CC=CC=C1NC(=O)C2C3CC(C2C(=O)O)C=C3
Structure:
CAS RN: 73664-50-3
CAS Name: 5-(2-pyridinylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
OPENEYE Name: 5-(2-pyridylmethylene)-2-thioxo-hexahydropyrimidine-4,6-dione
IUPAC Name: 5-(pyridin-2-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
SYSTEMATIC NAME: 5-(pyridin-2-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
MOLECULAR FORMULA: C10H7N3O2S
MOLECULAR WEIGHT: 233.24648
SMILES: C1=CC=NC(=C1)C=C2C(=O)NC(=S)NC2=O
Structure:
CAS RN: 5957-73-3
CAS Name: 5-bromo-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one
OPENEYE Name: 5-bromo-3-hydroxy-3-[2-oxo-2-(p-tolyl)ethyl]indolin-2-one
IUPAC Name: 5-bromo-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one
SYSTEMATIC NAME: 5-bromanyl-3-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-3-oxidanyl-1H-indol-2-one
MOLECULAR FORMULA: C17H14BrNO3
MOLECULAR WEIGHT: 360.20196
SMILES: CC1=CC=C(C=C1)C(=O)CC2(C3=C(C=CC(=C3)Br)NC2=O)O
Structure:
CAS RN: 257932-29-9
CAS Name: 4-hydroxy-7-bicyclo[3.2.1]octanecarboxylic acid
OPENEYE Name: 4-hydroxybicyclo[3.2.1]octane-7-carboxylic acid
IUPAC Name: 4-hydroxybicyclo[3.2.1]octane-7-carboxylic acid
SYSTEMATIC NAME: 4-oxidanylbicyclo[3.2.1]octane-7-carboxylic acid
MOLECULAR FORMULA: C9H14O3
MOLECULAR WEIGHT: 170.20566
SMILES: C1CC(C2CC1C(C2)C(=O)O)O
Structure:
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