CAS RN: 6967-89-1
CAS Name: 2-naphthalenecarbothioamide
OPENEYE Name: naphthalene-2-carbothioamide
IUPAC Name: naphthalene-2-carbothioamide
SYSTEMATIC NAME: naphthalene-2-carbothioamide
MOLECULAR FORMULA: C11H9NS
MOLECULAR WEIGHT: 187.26086
SMILES: C1=CC=C2C=C(C=CC2=C1)C(=S)N
Structure:
CAS RN: 26372-53-2
CAS Name: acetic acid (2-acetamido-3-pyridinyl) ester
OPENEYE Name: (2-acetamido-3-pyridyl) acetate
IUPAC Name: (2-acetamidopyridin-3-yl) acetate
SYSTEMATIC NAME: (2-acetamidopyridin-3-yl) ethanoate
MOLECULAR FORMULA: C9H10N2O3
MOLECULAR WEIGHT: 194.1873
SMILES: CC(=O)NC1=C(C=CC=N1)OC(=O)C
Structure:
CAS RN: 99185-50-9
CAS Name: 6-(3-pyridinyloxy)-3-pyridinamine
OPENEYE Name: 6-(3-pyridyloxy)pyridin-3-amine
IUPAC Name: 6-pyridin-3-yloxypyridin-3-amine
SYSTEMATIC NAME: 6-pyridin-3-yloxypyridin-3-amine
MOLECULAR FORMULA: C10H9N3O
MOLECULAR WEIGHT: 187.19796
SMILES: C1=CC(=CN=C1)OC2=NC=C(C=C2)N
Structure:
CAS RN: 100859-84-5
CAS Name: 2-chloro-4-pyridinecarboxamide
OPENEYE Name: 2-chloropyridine-4-carboxamide
IUPAC Name: 2-chloropyridine-4-carboxamide
SYSTEMATIC NAME: 2-chloranylpyridine-4-carboxamide
MOLECULAR FORMULA: C6H5ClN2O
MOLECULAR WEIGHT: 156.5697
SMILES: C1=CN=C(C=C1C(=O)N)Cl
Structure:
CAS RN: 4740-86-7
CAS Name: 2-[(3,4-dichlorophenyl)methyl]-6-methyl-3-pyridazinone
OPENEYE Name: 2-[(3,4-dichlorophenyl)methyl]-6-methyl-pyridazin-3-one
IUPAC Name: 2-[(3,4-dichlorophenyl)methyl]-6-methylpyridazin-3-one
SYSTEMATIC NAME: 2-[(3,4-dichlorophenyl)methyl]-6-methyl-pyridazin-3-one
MOLECULAR FORMULA: C12H10Cl2N2O
MOLECULAR WEIGHT: 269.1266
SMILES: CC1=NN(C(=O)C=C1)CC2=CC(=C(C=C2)Cl)Cl
Structure:
CAS RN: 65287-34-5
CAS Name: 2-chloro-4-pyridinecarbonyl chloride
OPENEYE Name: 2-chloropyridine-4-carbonyl chloride
IUPAC Name: 2-chloropyridine-4-carbonyl chloride
SYSTEMATIC NAME: 2-chloranylpyridine-4-carbonyl chloride
MOLECULAR FORMULA: C6H3Cl2NO
MOLECULAR WEIGHT: 176.00012
SMILES: C1=CN=C(C=C1C(=O)Cl)Cl
Structure:
CAS RN: 78607-32-6
CAS Name: 2,5-dichloro-3-pyridinamine
OPENEYE Name: 2,5-dichloropyridin-3-amine
IUPAC Name: 2,5-dichloropyridin-3-amine
SYSTEMATIC NAME: 2,5-bis(chloranyl)pyridin-3-amine
MOLECULAR FORMULA: C5H4Cl2N2
MOLECULAR WEIGHT: 163.00466
SMILES: C1=C(C(=NC=C1Cl)Cl)N
Structure:
CAS RN: 175277-80-2
CAS Name: 1-(3,5-dichloro-4-pyridinyl)piperazine
OPENEYE Name: 1-(3,5-dichloro-4-pyridyl)piperazine
IUPAC Name: 1-(3,5-dichloropyridin-4-yl)piperazine
SYSTEMATIC NAME: 1-[3,5-bis(chloranyl)pyridin-4-yl]piperazine
MOLECULAR FORMULA: C9H11Cl2N3
MOLECULAR WEIGHT: 232.10974
SMILES: C1CN(CCN1)C2=C(C=NC=C2Cl)Cl
Structure:
CAS RN: 13519-67-0
CAS Name: N-(4-chlorophenyl)-N-ethylformamide
OPENEYE Name: N-(4-chlorophenyl)-N-ethyl-formamide
IUPAC Name: N-(4-chlorophenyl)-N-ethylformamide
SYSTEMATIC NAME: N-(4-chlorophenyl)-N-ethyl-methanamide
MOLECULAR FORMULA: C9H10ClNO
MOLECULAR WEIGHT: 183.6348
SMILES: CCN(C=O)C1=CC=C(C=C1)Cl
Structure:
CAS RN: 60832-72-6
CAS Name: 3H-oxazolo[4,5-b]pyridin-2-one
OPENEYE Name: 3H-oxazolo[4,5-b]pyridin-2-one
IUPAC Name: 3H-[1,3]oxazolo[4,5-b]pyridin-2-one
SYSTEMATIC NAME: 3H-[1,3]oxazolo[4,5-b]pyridin-2-one
MOLECULAR FORMULA: C6H4N2O2
MOLECULAR WEIGHT: 136.10816
SMILES: C1=CC2=C(NC(=O)O2)N=C1
Structure:
CAS RN: 53595-68-9
CAS Name: 2,5-dichloro-3-thiophenesulfonamide
OPENEYE Name: 2,5-dichlorothiophene-3-sulfonamide
IUPAC Name: 2,5-dichlorothiophene-3-sulfonamide
SYSTEMATIC NAME: 2,5-bis(chloranyl)thiophene-3-sulfonamide
MOLECULAR FORMULA: C4H3Cl2NO2S2
MOLECULAR WEIGHT: 232.10812
SMILES: C1=C(SC(=C1S(=O)(=O)N)Cl)Cl
Structure:
CAS RN: 5589-97-9
CAS Name: 3-(3,5-dimethyl-1-pyrazolyl)propanenitrile
OPENEYE Name: 3-(3,5-dimethylpyrazol-1-yl)propanenitrile
IUPAC Name: 3-(3,5-dimethylpyrazol-1-yl)propanenitrile
SYSTEMATIC NAME: 3-(3,5-dimethylpyrazol-1-yl)propanenitrile
MOLECULAR FORMULA: C8H11N3
MOLECULAR WEIGHT: 149.19304
SMILES: CC1=CC(=NN1CCC#N)C
Structure:
CAS RN: 21681-88-9
CAS Name: 2-[(4-methylphenyl)thio]acetonitrile
OPENEYE Name: 2-(p-tolylsulfanyl)acetonitrile
IUPAC Name: 2-(4-methylphenyl)sulfanylacetonitrile
SYSTEMATIC NAME: 2-(4-methylphenyl)sulfanylethanenitrile
MOLECULAR FORMULA: C9H9NS
MOLECULAR WEIGHT: 163.23946
SMILES: CC1=CC=C(C=C1)SCC#N
Structure:
CAS RN: 150020-64-7
CAS Name: 6-chloro-5-imidazo[2,1-b]thiazolesulfonyl chloride
OPENEYE Name: 6-chloroimidazo[2,1-b]thiazole-5-sulfonyl chloride
IUPAC Name: 6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonyl chloride
SYSTEMATIC NAME: 6-chloranylimidazo[2,1-b][1,3]thiazole-5-sulfonyl chloride
MOLECULAR FORMULA: C5H2Cl2N2O2S2
MOLECULAR WEIGHT: 257.11758
SMILES: C1=CSC2=NC(=C(N21)S(=O)(=O)Cl)Cl
Structure:
CAS RN: 85320-76-9
CAS Name: 1-oxido-3-pyridin-1-iumcarbothioamide
OPENEYE Name: 1-oxidopyridin-1-ium-3-carbothioamide
IUPAC Name: 1-oxidopyridin-1-ium-3-carbothioamide
SYSTEMATIC NAME: 1-oxidanidylpyridin-1-ium-3-carbothioamide
MOLECULAR FORMULA: C6H6N2OS
MOLECULAR WEIGHT: 154.18964
SMILES: C1=CC(=C[N+](=C1)[O-])C(=S)N
Structure:
CAS RN: 2199-83-9
CAS Name: 6-bromo-3-(1-oxobutyl)-1-benzopyran-2-one
OPENEYE Name: 6-bromo-3-butanoyl-chromen-2-one
IUPAC Name: 6-bromo-3-butanoylchromen-2-one
SYSTEMATIC NAME: 6-bromanyl-3-butanoyl-chromen-2-one
MOLECULAR FORMULA: C13H11BrO3
MOLECULAR WEIGHT: 295.12864
SMILES: CCCC(=O)C1=CC2=C(C=CC(=C2)Br)OC1=O
Structure:
CAS RN: 258506-49-9
CAS Name: 2-bromo-1-[3-(4-chlorophenyl)-5-isoxazolyl]ethanone
OPENEYE Name: 2-bromo-1-[3-(4-chlorophenyl)isoxazol-5-yl]ethanone
IUPAC Name: 2-bromo-1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]ethanone
SYSTEMATIC NAME: 2-bromanyl-1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]ethanone
MOLECULAR FORMULA: C11H7BrClNO2
MOLECULAR WEIGHT: 300.53578
SMILES: C1=CC(=CC=C1C2=NOC(=C2)C(=O)CBr)Cl
Structure:
CAS RN: 85126-64-3
CAS Name: 2-chloro-N-[3-(methylthio)phenyl]acetamide
OPENEYE Name: 2-chloro-N-(3-methylsulfanylphenyl)acetamide
IUPAC Name: 2-chloro-N-(3-methylsulfanylphenyl)acetamide
SYSTEMATIC NAME: 2-chloranyl-N-(3-methylsulfanylphenyl)ethanamide
MOLECULAR FORMULA: C9H10ClNOS
MOLECULAR WEIGHT: 215.6998
SMILES: CSC1=CC=CC(=C1)NC(=O)CCl
Structure:
CAS RN: 103935-10-0
CAS Name: 2-acetylbenzoic acid ethyl ester
OPENEYE Name: ethyl 2-acetylbenzoate
IUPAC Name: ethyl 2-acetylbenzoate
SYSTEMATIC NAME: ethyl 2-ethanoylbenzoate
MOLECULAR FORMULA: C11H12O3
MOLECULAR WEIGHT: 192.21118
SMILES: CCOC(=O)C1=CC=CC=C1C(=O)C
Structure:
CAS RN: 49608-01-7
CAS Name: 6-chloro-3-pyridinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 6-chloropyridine-3-carboxylate
IUPAC Name: ethyl 6-chloropyridine-3-carboxylate
SYSTEMATIC NAME: ethyl 6-chloranylpyridine-3-carboxylate
MOLECULAR FORMULA: C8H8ClNO2
MOLECULAR WEIGHT: 185.60762
SMILES: CCOC(=O)C1=CN=C(C=C1)Cl
Structure:
CAS RN: 175277-38-0
CAS Name: 2-bromo-1-[3-(3,4-dichlorophenyl)-5-isoxazolyl]ethanone
OPENEYE Name: 2-bromo-1-[3-(3,4-dichlorophenyl)isoxazol-5-yl]ethanone
IUPAC Name: 2-bromo-1-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]ethanone
SYSTEMATIC NAME: 2-bromanyl-1-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]ethanone
MOLECULAR FORMULA: C11H6BrCl2NO2
MOLECULAR WEIGHT: 334.98084
SMILES: C1=CC(=C(C=C1C2=NOC(=C2)C(=O)CBr)Cl)Cl
Structure:
CAS RN: 175277-33-5
CAS Name: 4-(dimethoxymethyl)-2-methylpyrimidine
OPENEYE Name: 4-(dimethoxymethyl)-2-methyl-pyrimidine
IUPAC Name: 4-(dimethoxymethyl)-2-methylpyrimidine
SYSTEMATIC NAME: 4-(dimethoxymethyl)-2-methyl-pyrimidine
MOLECULAR FORMULA: C8H12N2O2
MOLECULAR WEIGHT: 168.19308
SMILES: CC1=NC=CC(=N1)C(OC)OC
Structure:
CAS RN: 4942-70-5
CAS Name: (4E)-4-(dimethylaminomethylidene)-5-methyl-2-phenyl-3-pyrazolone
OPENEYE Name: (4E)-4-(dimethylaminomethylene)-5-methyl-2-phenyl-pyrazol-3-one
IUPAC Name: (4E)-4-(dimethylaminomethylidene)-5-methyl-2-phenylpyrazol-3-one
SYSTEMATIC NAME: (4E)-4-(dimethylaminomethylidene)-5-methyl-2-phenyl-pyrazol-3-one
MOLECULAR FORMULA: C13H15N3O
MOLECULAR WEIGHT: 229.2777
SMILES: CC\1=NN(C(=O)/C1=C/N(C)C)C2=CC=CC=C2
Structure:
CAS RN: 77358-26-0
CAS Name: 5-methyl-3-isoxazolecarbothioamide
OPENEYE Name: 5-methylisoxazole-3-carbothioamide
IUPAC Name: 5-methyl-1,2-oxazole-3-carbothioamide
SYSTEMATIC NAME: 5-methyl-1,2-oxazole-3-carbothioamide
MOLECULAR FORMULA: C5H6N2OS
MOLECULAR WEIGHT: 142.17894
SMILES: CC1=CC(=NO1)C(=S)N
Structure:
CAS RN: 67642-94-8
CAS Name: 5-(4-chlorophenyl)-3-(methylthio)-1,2,4-triazine
OPENEYE Name: 5-(4-chlorophenyl)-3-methylsulfanyl-1,2,4-triazine
IUPAC Name: 5-(4-chlorophenyl)-3-methylsulfanyl-1,2,4-triazine
SYSTEMATIC NAME: 5-(4-chlorophenyl)-3-methylsulfanyl-1,2,4-triazine
MOLECULAR FORMULA: C10H8ClN3S
MOLECULAR WEIGHT: 237.70862
SMILES: CSC1=NC(=CN=N1)C2=CC=C(C=C2)Cl
Structure:
CAS RN: 705-69-1
CAS Name: N-(4-chlorophenyl)carbamodithioic acid methyl ester
OPENEYE Name: methyl N-(4-chlorophenyl)carbamodithioate
IUPAC Name: methyl N-(4-chlorophenyl)carbamodithioate
SYSTEMATIC NAME: methyl N-(4-chlorophenyl)carbamodithioate
MOLECULAR FORMULA: C8H8ClNS2
MOLECULAR WEIGHT: 217.73882
SMILES: CSC(=S)NC1=CC=C(C=C1)Cl
Structure:
CAS RN: 4740-25-4
CAS Name: 5-ethyl-2-[[oxo-(2-phenoxy-3-pyridinyl)methyl]amino]-3-thiophenecarboxylic acid ethyl ester
OPENEYE Name: ethyl 5-ethyl-2-[(2-phenoxypyridine-3-carbonyl)amino]thiophene-3-carboxylate
IUPAC Name: ethyl 5-ethyl-2-[(2-phenoxypyridine-3-carbonyl)amino]thiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 5-ethyl-2-[(2-phenoxypyridin-3-yl)carbonylamino]thiophene-3-carboxylate
MOLECULAR FORMULA: C21H20N2O4S
MOLECULAR WEIGHT: 396.4595
SMILES: CCC1=CC(=C(S1)NC(=O)C2=C(N=CC=C2)OC3=CC=CC=C3)C(=O)OCC
Structure:
CAS RN: 175277-00-6
CAS Name: 4-bromo-2-ethyl-5-methyl-3-pyrazolecarbonyl chloride
OPENEYE Name: 4-bromo-2-ethyl-5-methyl-pyrazole-3-carbonyl chloride
IUPAC Name: 4-bromo-2-ethyl-5-methylpyrazole-3-carbonyl chloride
SYSTEMATIC NAME: 4-bromanyl-2-ethyl-5-methyl-pyrazole-3-carbonyl chloride
MOLECULAR FORMULA: C7H8BrClN2O
MOLECULAR WEIGHT: 251.50822
SMILES: CCN1C(=C(C(=N1)C)Br)C(=O)Cl
Structure:
CAS RN: 21917-76-0
CAS Name: 2-methyl-4-thiazolecarbonitrile
OPENEYE Name: 2-methylthiazole-4-carbonitrile
IUPAC Name: 2-methyl-1,3-thiazole-4-carbonitrile
SYSTEMATIC NAME: 2-methyl-1,3-thiazole-4-carbonitrile
MOLECULAR FORMULA: C5H4N2S
MOLECULAR WEIGHT: 124.16366
SMILES: CC1=NC(=CS1)C#N
Structure:
CAS RN: 29947-08-8
CAS Name: 4-[(4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]benzonitrile
OPENEYE Name: 4-[(4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]benzonitrile
IUPAC Name: 4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzonitrile
SYSTEMATIC NAME: 4-[(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzenecarbonitrile
MOLECULAR FORMULA: C11H6N2OS2
MOLECULAR WEIGHT: 246.30814
SMILES: C1=CC(=CC=C1C=C2C(=O)NC(=S)S2)C#N
Structure:
CAS RN: 58064-52-1
CAS Name: N-[[methylamino(sulfanylidene)methyl]amino]formamide
OPENEYE Name: N-(methylcarbamothioylamino)formamide
IUPAC Name: N-(methylcarbamothioylamino)formamide
SYSTEMATIC NAME: N-(methylcarbamothioylamino)methanamide
MOLECULAR FORMULA: C3H7N3OS
MOLECULAR WEIGHT: 133.17218
SMILES: CNC(=S)NNC=O
Structure:
CAS RN: 84863-83-2
CAS Name: 2,3-dichlorobenzenecarbothioamide
OPENEYE Name: 2,3-dichlorobenzenecarbothioamide
IUPAC Name: 2,3-dichlorobenzenecarbothioamide
SYSTEMATIC NAME: 2,3-bis(chloranyl)benzenecarbothioamide
MOLECULAR FORMULA: C7H5Cl2NS
MOLECULAR WEIGHT: 206.0923
SMILES: C1=CC(=C(C(=C1)Cl)Cl)C(=S)N
Structure:
CAS RN: 4739-82-6
CAS Name: 3-[(2,6-dichlorophenyl)methoxy]-2-phenyl-4-quinazolinone
OPENEYE Name: 3-[(2,6-dichlorophenyl)methoxy]-2-phenyl-quinazolin-4-one
IUPAC Name: 3-[(2,6-dichlorophenyl)methoxy]-2-phenylquinazolin-4-one
SYSTEMATIC NAME: 3-[[2,6-bis(chloranyl)phenyl]methoxy]-2-phenyl-quinazolin-4-one
MOLECULAR FORMULA: C21H14Cl2N2O2
MOLECULAR WEIGHT: 397.25406
SMILES: C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2OCC4=C(C=CC=C4Cl)Cl
Structure:
CAS RN: 71625-90-6
CAS Name: (5-chloro-1-benzothiophen-3-yl)methanamine
OPENEYE Name: (5-chlorobenzothiophen-3-yl)methanamine
IUPAC Name: (5-chloro-1-benzothiophen-3-yl)methanamine
SYSTEMATIC NAME: (5-chloranyl-1-benzothiophen-3-yl)methanamine
MOLECULAR FORMULA: C9H8ClNS
MOLECULAR WEIGHT: 197.68452
SMILES: C1=CC2=C(C=C1Cl)C(=CS2)CN
Structure:
CAS RN: 16738-20-8
CAS Name: (2,4-dimethylphenyl)thiourea
OPENEYE Name: (2,4-dimethylphenyl)thiourea
IUPAC Name: (2,4-dimethylphenyl)thiourea
SYSTEMATIC NAME: 1-(2,4-dimethylphenyl)thiourea
MOLECULAR FORMULA: C9H12N2S
MOLECULAR WEIGHT: 180.26998
SMILES: CC1=CC(=C(C=C1)NC(=S)N)C
Structure:
CAS RN: 1220-00-4
CAS Name: 1,3-bis(4-chlorophenyl)thiourea
OPENEYE Name: 1,3-bis(4-chlorophenyl)thiourea
IUPAC Name: 1,3-bis(4-chlorophenyl)thiourea
SYSTEMATIC NAME: 1,3-bis(4-chlorophenyl)thiourea
MOLECULAR FORMULA: C13H10Cl2N2S
MOLECULAR WEIGHT: 297.2029
SMILES: C1=CC(=CC=C1NC(=S)NC2=CC=C(C=C2)Cl)Cl
Structure:
CAS RN: 96543-75-8
CAS Name: 5-tert-butyl-2-methyl-3-furancarbonyl chloride
OPENEYE Name: 5-tert-butyl-2-methyl-furan-3-carbonyl chloride
IUPAC Name: 5-tert-butyl-2-methylfuran-3-carbonyl chloride
SYSTEMATIC NAME: 5-tert-butyl-2-methyl-furan-3-carbonyl chloride
MOLECULAR FORMULA: C10H13ClO2
MOLECULAR WEIGHT: 200.66202
SMILES: CC1=C(C=C(O1)C(C)(C)C)C(=O)Cl
Structure:
CAS RN: 63002-57-3
CAS Name: 2-(chloromethyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
OPENEYE Name: 2-(chloromethyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
IUPAC Name: 2-(chloromethyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-(chloromethyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
MOLECULAR FORMULA: C9H6ClN3O3
MOLECULAR WEIGHT: 239.61524
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C2=NN=C(O2)CCl
Structure:
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