CAS RN: 83805-45-2
CAS Name: 6-phenyl-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
OPENEYE Name: 6-phenyl-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
IUPAC Name: 6-phenyl-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
SYSTEMATIC NAME: 6-phenyl-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
MOLECULAR FORMULA: C19H17N3O3S
MOLECULAR WEIGHT: 367.42158
SMILES: COC1=CC(=CC(=C1OC)OC)C2=NN3C=C(N=C3S2)C4=CC=CC=C4
Structure:
CAS RN: 93299-91-3
CAS Name: 1-(4-chlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine
OPENEYE Name: 1-(4-chlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine
IUPAC Name: 1-(4-chlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine
SYSTEMATIC NAME: 1-(4-chlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine
MOLECULAR FORMULA: C15H10ClN3S
MOLECULAR WEIGHT: 299.778
SMILES: C1C2=NN=C(N2C3=CC=CC=C3S1)C4=CC=C(C=C4)Cl
Structure:
CAS RN: 78959-10-1
CAS Name: N'-(2H-1,4-benzothiazin-3-yl)-4-chlorobenzohydrazide
OPENEYE Name: N'-(2H-1,4-benzothiazin-3-yl)-4-chloro-benzohydrazide
IUPAC Name: N'-(2H-1,4-benzothiazin-3-yl)-4-chlorobenzohydrazide
SYSTEMATIC NAME: N'-(2H-1,4-benzothiazin-3-yl)-4-chloranyl-benzohydrazide
MOLECULAR FORMULA: C15H12ClN3OS
MOLECULAR WEIGHT: 317.79328
SMILES: C1C(=NC2=CC=CC=C2S1)NNC(=O)C3=CC=C(C=C3)Cl
Structure:
CAS RN: 97248-88-9
CAS Name: 2-acetyl-4,6-dimethyl-3-isothiazolo[5,4-b]pyridinone
OPENEYE Name: 2-acetyl-4,6-dimethyl-isothiazolo[5,4-b]pyridin-3-one
IUPAC Name: 2-acetyl-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-one
SYSTEMATIC NAME: 2-ethanoyl-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-one
MOLECULAR FORMULA: C10H10N2O2S
MOLECULAR WEIGHT: 222.2636
SMILES: CC1=CC(=NC2=C1C(=O)N(S2)C(=O)C)C
Structure:
CAS RN: 97248-89-0
CAS Name: 2-benzoyl-4,6-dimethyl-3-isothiazolo[5,4-b]pyridinone
OPENEYE Name: 2-benzoyl-4,6-dimethyl-isothiazolo[5,4-b]pyridin-3-one
IUPAC Name: 2-benzoyl-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-one
SYSTEMATIC NAME: 4,6-dimethyl-2-(phenylcarbonyl)-[1,2]thiazolo[5,4-b]pyridin-3-one
MOLECULAR FORMULA: C15H12N2O2S
MOLECULAR WEIGHT: 284.33298
SMILES: CC1=CC(=NC2=C1C(=O)N(S2)C(=O)C3=CC=CC=C3)C
Structure:
CAS RN: 26029-13-0
CAS Name: 3-(2-chlorophenyl)-4-ethyl-1H-1,2,4-triazole-5-thione
OPENEYE Name: 3-(2-chlorophenyl)-4-ethyl-1H-1,2,4-triazole-5-thione
IUPAC Name: 3-(2-chlorophenyl)-4-ethyl-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 3-(2-chlorophenyl)-4-ethyl-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C10H10ClN3S
MOLECULAR WEIGHT: 239.7245
SMILES: CCN1C(=NNC1=S)C2=CC=CC=C2Cl
Structure:
CAS RN: 93299-87-7
CAS Name: 1-phenyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine
OPENEYE Name: 1-phenyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine
IUPAC Name: 1-phenyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine
SYSTEMATIC NAME: 1-phenyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine
MOLECULAR FORMULA: C15H11N3S
MOLECULAR WEIGHT: 265.33294
SMILES: C1C2=NN=C(N2C3=CC=CC=C3S1)C4=CC=CC=C4
Structure:
CAS RN: 93299-88-8
CAS Name: 1-thiophen-2-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine
OPENEYE Name: 1-(2-thienyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine
IUPAC Name: 1-thiophen-2-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine
SYSTEMATIC NAME: 1-thiophen-2-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine
MOLECULAR FORMULA: C13H9N3S2
MOLECULAR WEIGHT: 271.36066
SMILES: C1C2=NN=C(N2C3=CC=CC=C3S1)C4=CC=CS4
Structure:
CAS RN: 93299-89-9
CAS Name: 1-pyridin-4-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine
OPENEYE Name: 1-(4-pyridyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine
IUPAC Name: 1-pyridin-4-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine
SYSTEMATIC NAME: 1-pyridin-4-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine
MOLECULAR FORMULA: C14H10N4S
MOLECULAR WEIGHT: 266.321
SMILES: C1C2=NN=C(N2C3=CC=CC=C3S1)C4=CC=NC=C4
Structure:
CAS RN: 78959-08-7
CAS Name: N'-(2H-1,4-benzothiazin-3-yl)benzohydrazide
OPENEYE Name: N'-(2H-1,4-benzothiazin-3-yl)benzohydrazide
IUPAC Name: N'-(2H-1,4-benzothiazin-3-yl)benzohydrazide
SYSTEMATIC NAME: N'-(2H-1,4-benzothiazin-3-yl)benzohydrazide
MOLECULAR FORMULA: C15H13N3OS
MOLECULAR WEIGHT: 283.34822
SMILES: C1C(=NC2=CC=CC=C2S1)NNC(=O)C3=CC=CC=C3
Structure:
CAS RN: 6289-02-7
CAS Name: 1-phenyl-2H-pyrazolo[3,4-d]pyrimidine-4,6-dithione
OPENEYE Name: 1-phenyl-2H-pyrazolo[3,4-d]pyrimidine-4,6-dithione
IUPAC Name: 1-phenyl-2H-pyrazolo[3,4-d]pyrimidine-4,6-dithione
SYSTEMATIC NAME: 1-phenyl-2H-pyrazolo[3,4-d]pyrimidine-4,6-dithione
MOLECULAR FORMULA: C11H8N4S2
MOLECULAR WEIGHT: 260.33802
SMILES: C1=CC=C(C=C1)N2C3=NC(=S)NC(=S)C3=CN2
Structure:
CAS RN: 56533-62-1
CAS Name: 1,2-bis(2,3-dihydroindol-1-yl)ethanone
OPENEYE Name: 1,2-di(indolin-1-yl)ethanone
IUPAC Name: 1,2-bis(2,3-dihydroindol-1-yl)ethanone
SYSTEMATIC NAME: 1,2-bis(2,3-dihydroindol-1-yl)ethanone
MOLECULAR FORMULA: C18H18N2O
MOLECULAR WEIGHT: 278.34832
SMILES: C1CN(C2=CC=CC=C21)CC(=O)N3CCC4=CC=CC=C43
Structure:
CAS RN: 6284-24-8
CAS Name: N,N-diethyl-7H-purin-6-amine
OPENEYE Name: N,N-diethyl-7H-purin-6-amine
IUPAC Name: N,N-diethyl-7H-purin-6-amine
SYSTEMATIC NAME: N,N-diethyl-7H-purin-6-amine
MOLECULAR FORMULA: C9H13N5
MOLECULAR WEIGHT: 191.23302
SMILES: CCN(CC)C1=NC=NC2=C1NC=N2
Structure:
CAS RN: 524-80-1
CAS Name: 2-(9-carbazolyl)acetic acid
OPENEYE Name: 2-carbazol-9-ylacetic acid
IUPAC Name: 2-carbazol-9-ylacetic acid
SYSTEMATIC NAME: 2-carbazol-9-ylethanoic acid
MOLECULAR FORMULA: C14H11NO2
MOLECULAR WEIGHT: 225.24264
SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3N2CC(=O)O
Structure:
CAS RN: 68462-61-3
CAS Name: 5-amino-1-(phenylmethyl)-4-imidazolecarboxylic acid ethyl ester
OPENEYE Name: ethyl 5-amino-1-benzyl-imidazole-4-carboxylate
IUPAC Name: ethyl 5-amino-1-benzylimidazole-4-carboxylate
SYSTEMATIC NAME: ethyl 5-azanyl-1-(phenylmethyl)imidazole-4-carboxylate
MOLECULAR FORMULA: C13H15N3O2
MOLECULAR WEIGHT: 245.2771
SMILES: CCOC(=O)C1=C(N(C=N1)CC2=CC=CC=C2)N
Structure:
CAS RN: 215057-28-6
CAS Name: 3-(2,3-dihydrobenzofuran-5-yl)propanoic acid
OPENEYE Name: 3-(2,3-dihydrobenzofuran-5-yl)propanoic acid
IUPAC Name: 3-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid
SYSTEMATIC NAME: 3-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid
MOLECULAR FORMULA: C11H12O3
MOLECULAR WEIGHT: 192.21118
SMILES: C1COC2=C1C=C(C=C2)CCC(=O)O
Structure:
CAS RN: 132605-16-4
CAS Name: 2-[[anilino(sulfanylidene)methyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 6-methyl-2-(phenylcarbamothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
IUPAC Name: ethyl 6-methyl-2-(phenylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 6-methyl-2-(phenylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
MOLECULAR FORMULA: C19H22N2O2S2
MOLECULAR WEIGHT: 374.52018
SMILES: CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=S)NC3=CC=CC=C3
Structure:
CAS RN: 4756-01-8
CAS Name: 4-[[5-ethyl-3-[(4-methoxyphenyl)-oxomethyl]-2-thiophenyl]amino]-4-oxobutanoic acid
OPENEYE Name: 4-[[5-ethyl-3-(4-methoxybenzoyl)-2-thienyl]amino]-4-oxo-butanoic acid
IUPAC Name: 4-[[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-4-oxobutanoic acid
SYSTEMATIC NAME: 4-[[5-ethyl-3-(4-methoxyphenyl)carbonyl-thiophen-2-yl]amino]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C18H19NO5S
MOLECULAR WEIGHT: 361.41216
SMILES: CCC1=CC(=C(S1)NC(=O)CCC(=O)O)C(=O)C2=CC=C(C=C2)OC
Structure:
CAS RN: 38060-08-1
CAS Name: 2-(4-morpholinyl)-1-phenylethanamine
OPENEYE Name: 2-morpholino-1-phenyl-ethanamine
IUPAC Name: 2-morpholin-4-yl-1-phenylethanamine
SYSTEMATIC NAME: 2-morpholin-4-yl-1-phenyl-ethanamine
MOLECULAR FORMULA: C12H18N2O
MOLECULAR WEIGHT: 206.28412
SMILES: C1COCCN1CC(C2=CC=CC=C2)N
Structure:
CAS RN: 700815-60-7
CAS Name: 1-[cyclobutyl(oxo)methyl]-4-piperidinecarboxylic acid
OPENEYE Name: 1-(cyclobutanecarbonyl)piperidine-4-carboxylic acid
IUPAC Name: 1-(cyclobutanecarbonyl)piperidine-4-carboxylic acid
SYSTEMATIC NAME: 1-cyclobutylcarbonylpiperidine-4-carboxylic acid
MOLECULAR FORMULA: C11H17NO3
MOLECULAR WEIGHT: 211.25758
SMILES: C1CC(C1)C(=O)N2CCC(CC2)C(=O)O
Structure:
CAS RN: 4753-84-8
CAS Name: 3-chloro-N'-(2,4-difluorophenyl)-2-thiophenecarbohydrazide
OPENEYE Name: 3-chloro-N'-(2,4-difluorophenyl)thiophene-2-carbohydrazide
IUPAC Name: 3-chloro-N'-(2,4-difluorophenyl)thiophene-2-carbohydrazide
SYSTEMATIC NAME: N'-[2,4-bis(fluoranyl)phenyl]-3-chloranyl-thiophene-2-carbohydrazide
MOLECULAR FORMULA: C11H7ClF2N2OS
MOLECULAR WEIGHT: 288.700886
SMILES: C1=CC(=C(C=C1F)F)NNC(=O)C2=C(C=CS2)Cl
Structure:
CAS RN: 104691-51-2
CAS Name: 4-(2-imidazo[1,2-a]pyrimidinyl)benzonitrile
OPENEYE Name: 4-imidazo[1,2-a]pyrimidin-2-ylbenzonitrile
IUPAC Name: 4-imidazo[1,2-a]pyrimidin-2-ylbenzonitrile
SYSTEMATIC NAME: 4-imidazo[1,2-a]pyrimidin-2-ylbenzenecarbonitrile
MOLECULAR FORMULA: C13H8N4
MOLECULAR WEIGHT: 220.22942
SMILES: C1=CN2C=C(N=C2N=C1)C3=CC=C(C=C3)C#N
Structure:
CAS RN: 4753-23-5
CAS Name: 2-chloro-N'-(2-ethylphenyl)-6-fluorobenzohydrazide
OPENEYE Name: 2-chloro-N'-(2-ethylphenyl)-6-fluoro-benzohydrazide
IUPAC Name: 2-chloro-N'-(2-ethylphenyl)-6-fluorobenzohydrazide
SYSTEMATIC NAME: 2-chloranyl-N'-(2-ethylphenyl)-6-fluoranyl-benzohydrazide
MOLECULAR FORMULA: C15H14ClFN2O
MOLECULAR WEIGHT: 292.735863
SMILES: CCC1=CC=CC=C1NNC(=O)C2=C(C=CC=C2Cl)F
Structure:
CAS RN: 403-31-6
CAS Name: 1-(4-fluorophenyl)-2-hydroxyethanone
OPENEYE Name: 1-(4-fluorophenyl)-2-hydroxy-ethanone
IUPAC Name: 1-(4-fluorophenyl)-2-hydroxyethanone
SYSTEMATIC NAME: 1-(4-fluorophenyl)-2-oxidanyl-ethanone
MOLECULAR FORMULA: C8H7FO2
MOLECULAR WEIGHT: 154.138383
SMILES: C1=CC(=CC=C1C(=O)CO)F
Structure:
CAS RN: 143759-85-7
CAS Name: 1-[4-(diphenylmethyl)-1-piperazinyl]-3-(phenylthio)-2-propanol
OPENEYE Name: 1-(4-benzhydrylpiperazin-1-yl)-3-phenylsulfanyl-propan-2-ol
IUPAC Name: 1-(4-benzhydrylpiperazin-1-yl)-3-phenylsulfanylpropan-2-ol
SYSTEMATIC NAME: 1-[4-(diphenylmethyl)piperazin-1-yl]-3-phenylsulfanyl-propan-2-ol
MOLECULAR FORMULA: C26H30N2OS
MOLECULAR WEIGHT: 418.5942
SMILES: C1CN(CCN1CC(CSC2=CC=CC=C2)O)C(C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 4750-42-9
CAS Name: N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-[4-(trifluoromethyl)-2-pyrimidinyl]ethane-1,2-diamine
OPENEYE Name: N-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N'-[4-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine
IUPAC Name: N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N'-[4-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine
SYSTEMATIC NAME: N-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-N'-[4-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine
MOLECULAR FORMULA: C13H10ClF6N5
MOLECULAR WEIGHT: 385.695419
SMILES: C1=CN=C(N=C1C(F)(F)F)NCCNC2=C(C=C(C=N2)C(F)(F)F)Cl
Structure:
CAS RN: 183322-16-9
CAS Name: 3,4-bis(2-methoxyethoxy)benzoic acid ethyl ester
OPENEYE Name: ethyl 3,4-bis(2-methoxyethoxy)benzoate
IUPAC Name: ethyl 3,4-bis(2-methoxyethoxy)benzoate
SYSTEMATIC NAME: ethyl 3,4-bis(2-methoxyethoxy)benzoate
MOLECULAR FORMULA: C15H22O6
MOLECULAR WEIGHT: 298.33158
SMILES: CCOC(=O)C1=CC(=C(C=C1)OCCOC)OCCOC
Structure:
CAS RN: 23051-16-3
CAS Name: 4-(carbamothioylamino)benzoic acid ethyl ester
OPENEYE Name: ethyl 4-(carbamothioylamino)benzoate
IUPAC Name: ethyl 4-(carbamothioylamino)benzoate
SYSTEMATIC NAME: ethyl 4-(carbamothioylamino)benzoate
MOLECULAR FORMULA: C10H12N2O2S
MOLECULAR WEIGHT: 224.27948
SMILES: CCOC(=O)C1=CC=C(C=C1)NC(=S)N
Structure:
CAS RN: 3118-68-1
CAS Name: 3-cyanobenzenesulfonamide
OPENEYE Name: 3-cyanobenzenesulfonamide
IUPAC Name: 3-cyanobenzenesulfonamide
SYSTEMATIC NAME: 3-cyanobenzenesulfonamide
MOLECULAR FORMULA: C7H6N2O2S
MOLECULAR WEIGHT: 182.19974
SMILES: C1=CC(=CC(=C1)S(=O)(=O)N)C#N
Structure:
CAS RN: 14080-50-3
CAS Name: 3H-thieno[2,3-d]pyrimidin-4-one
OPENEYE Name: 3H-thieno[2,3-d]pyrimidin-4-one
IUPAC Name: 3H-thieno[2,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 3H-thieno[2,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C6H4N2OS
MOLECULAR WEIGHT: 152.17376
SMILES: C1=CSC2=C1C(=O)NC=N2
Structure:
CAS RN: 72776-05-7
CAS Name: 4-oxo-2-azetidinecarboxylic acid (phenylmethyl) ester
OPENEYE Name: benzyl 4-oxoazetidine-2-carboxylate
IUPAC Name: benzyl 4-oxoazetidine-2-carboxylate
SYSTEMATIC NAME: (phenylmethyl) 4-oxidanylideneazetidine-2-carboxylate
MOLECULAR FORMULA: C11H11NO3
MOLECULAR WEIGHT: 205.20994
SMILES: C1C(NC1=O)C(=O)OCC2=CC=CC=C2
Structure:
CAS RN: 87791-58-0
CAS Name: 4-oxo-2-azetidinecarboxylic acid (phenylmethyl) ester
OPENEYE Name: benzyl 4-oxoazetidine-2-carboxylate
IUPAC Name: benzyl 4-oxoazetidine-2-carboxylate
SYSTEMATIC NAME: (phenylmethyl) 4-oxidanylideneazetidine-2-carboxylate
MOLECULAR FORMULA: C11H11NO3
MOLECULAR WEIGHT: 205.20994
SMILES: C1C(NC1=O)C(=O)OCC2=CC=CC=C2
Structure:
CAS RN: 121071-71-4
CAS Name: 4-aminothiophene-2,3-dicarboxylic acid dimethyl ester hydrochloride
OPENEYE Name: dimethyl 4-aminothiophene-2,3-dicarboxylate hydrochloride
IUPAC Name: dimethyl 4-aminothiophene-2,3-dicarboxylate hydrochloride
SYSTEMATIC NAME: dimethyl 4-azanylthiophene-2,3-dicarboxylate hydrochloride
MOLECULAR FORMULA: C8H10ClNO4S
MOLECULAR WEIGHT: 251.6873
SMILES: COC(=O)C1=C(SC=C1N)C(=O)OC.Cl
Structure:
CAS RN: 103790-37-0
CAS Name: 3-(4-nitrophenoxy)-2-thiophenecarboxylic acid methyl ester
OPENEYE Name: methyl 3-(4-nitrophenoxy)thiophene-2-carboxylate
IUPAC Name: methyl 3-(4-nitrophenoxy)thiophene-2-carboxylate
SYSTEMATIC NAME: methyl 3-(4-nitrophenoxy)thiophene-2-carboxylate
MOLECULAR FORMULA: C12H9NO5S
MOLECULAR WEIGHT: 279.26856
SMILES: COC(=O)C1=C(C=CS1)OC2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 79128-72-6
CAS Name: 3-[(4-methylphenyl)sulfonylamino]-2-thiophenecarboxylic acid methyl ester
OPENEYE Name: methyl 3-(p-tolylsulfonylamino)thiophene-2-carboxylate
IUPAC Name: methyl 3-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxylate
SYSTEMATIC NAME: methyl 3-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxylate
MOLECULAR FORMULA: C13H13NO4S2
MOLECULAR WEIGHT: 311.37662
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2=C(SC=C2)C(=O)OC
Structure:
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