CAS RN: 5301-94-0
CAS Name: 2-[[2-[(3-ethoxycarbonyl-4,5-dimethyl-2-thiophenyl)amino]-2-oxoethyl]thio]benzoic acid
OPENEYE Name: 2-[2-[(3-ethoxycarbonyl-4,5-dimethyl-2-thienyl)amino]-2-oxo-ethyl]sulfanylbenzoic acid
IUPAC Name: 2-[2-[(3-ethoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]sulfanylbenzoic acid
SYSTEMATIC NAME: 2-[2-[(3-ethoxycarbonyl-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid
MOLECULAR FORMULA: C18H19NO5S2
MOLECULAR WEIGHT: 393.47716
SMILES: CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=CC=CC=C2C(=O)O
Structure:
CAS RN: 5967-53-3
CAS Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-4-(1-piperidinylsulfonyl)benzamide
OPENEYE Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-4-(1-piperidylsulfonyl)benzamide
IUPAC Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide
SYSTEMATIC NAME: N-(4-methoxy-1,3-benzothiazol-2-yl)-4-piperidin-1-ylsulfonyl-benzamide
MOLECULAR FORMULA: C20H21N3O4S2
MOLECULAR WEIGHT: 431.52844
SMILES: COC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4
Structure:
CAS RN: 40322-46-1
CAS Name: (4E)-4-(phenylmethylene)-2,3-dihydro-1-benzothiepin-5-one
OPENEYE Name: (4E)-4-benzylidene-2,3-dihydro-1-benzothiepin-5-one
IUPAC Name: (4E)-4-benzylidene-2,3-dihydro-1-benzothiepin-5-one
SYSTEMATIC NAME: (4E)-4-(phenylmethylidene)-2,3-dihydro-1-benzothiepin-5-one
MOLECULAR FORMULA: C17H14OS
MOLECULAR WEIGHT: 266.35746
SMILES: C\1CSC2=CC=CC=C2C(=O)/C1=C/C3=CC=CC=C3
Structure:
CAS RN: 5162-80-1
CAS Name: 9-oxo-3-fluorenecarboxylic acid 8-quinolinyl ester
OPENEYE Name: 8-quinolyl 9-oxofluorene-3-carboxylate
IUPAC Name: quinolin-8-yl 9-oxofluorene-3-carboxylate
SYSTEMATIC NAME: quinolin-8-yl 9-oxidanylidenefluorene-3-carboxylate
MOLECULAR FORMULA: C23H13NO3
MOLECULAR WEIGHT: 351.35422
SMILES: C1=CC=C2C(=C1)C3=C(C2=O)C=CC(=C3)C(=O)OC4=CC=CC5=C4N=CC=C5
Structure:
CAS RN: 6044-71-9
CAS Name: N-(2-hydroxy-5-methylphenyl)-4-phenylbenzamide
OPENEYE Name: N-(2-hydroxy-5-methyl-phenyl)-4-phenyl-benzamide
IUPAC Name: N-(2-hydroxy-5-methylphenyl)-4-phenylbenzamide
SYSTEMATIC NAME: N-(5-methyl-2-oxidanyl-phenyl)-4-phenyl-benzamide
MOLECULAR FORMULA: C20H17NO2
MOLECULAR WEIGHT: 303.35448
SMILES: CC1=CC(=C(C=C1)O)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3
Structure:
CAS RN: 5151-10-0
CAS Name: (E)-N-[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]-3-(2-furanyl)-2-propenamide
OPENEYE Name: (E)-N-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioyl]-3-(2-furyl)prop-2-enamide
IUPAC Name: (E)-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-3-(furan-2-yl)prop-2-enamide
SYSTEMATIC NAME: (E)-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-3-(furan-2-yl)prop-2-enamide
MOLECULAR FORMULA: C17H15N3O2S2
MOLECULAR WEIGHT: 357.4499
SMILES: C1CCC2=C(C1)C(=C(S2)NC(=S)NC(=O)/C=C/C3=CC=CO3)C#N
Structure:
CAS RN: 5923-44-4
CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide
OPENEYE Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SYSTEMATIC NAME: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide
MOLECULAR FORMULA: C26H25FN4O3S
MOLECULAR WEIGHT: 492.565103
SMILES: COC1=C(C=C(C=C1)CCNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC(=CC=C4)F)OC
Structure:
CAS RN: 5473-75-6
CAS Name: N-(2,5-dichlorophenyl)-4-methoxy-3-[[(3-methylphenyl)-oxomethyl]amino]benzamide
OPENEYE Name: N-(2,5-dichlorophenyl)-4-methoxy-3-[(3-methylbenzoyl)amino]benzamide
IUPAC Name: N-(2,5-dichlorophenyl)-4-methoxy-3-[(3-methylbenzoyl)amino]benzamide
SYSTEMATIC NAME: N-[2,5-bis(chloranyl)phenyl]-4-methoxy-3-[(3-methylphenyl)carbonylamino]benzamide
MOLECULAR FORMULA: C22H18Cl2N2O3
MOLECULAR WEIGHT: 429.29592
SMILES: CC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NC3=C(C=CC(=C3)Cl)Cl)OC
Structure:
CAS RN: 5561-72-8
CAS Name: 1-[4-[4-[[anilino(oxo)methyl]amino]phenyl]phenyl]-3-phenylurea
OPENEYE Name: 1-phenyl-3-[4-[4-(phenylcarbamoylamino)phenyl]phenyl]urea
IUPAC Name: 1-phenyl-3-[4-[4-(phenylcarbamoylamino)phenyl]phenyl]urea
SYSTEMATIC NAME: 1-phenyl-3-[4-[4-(phenylcarbamoylamino)phenyl]phenyl]urea
MOLECULAR FORMULA: C26H22N4O2
MOLECULAR WEIGHT: 422.47848
SMILES: C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)C3=CC=C(C=C3)NC(=O)NC4=CC=CC=C4
Structure:
CAS RN: 5777-78-6
CAS Name: 2-fluorobenzoic acid [3-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-xanthen-9-yl)phenyl] ester
OPENEYE Name: [3-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-xanthen-9-yl)phenyl] 2-fluorobenzoate
IUPAC Name: [3-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-xanthen-9-yl)phenyl] 2-fluorobenzoate
SYSTEMATIC NAME: [3-[3,3,6,6-tetramethyl-1,8-bis(oxidanylidene)-4,5,7,9-tetrahydro-2H-xanthen-9-yl]phenyl] 2-fluoranylbenzoate
MOLECULAR FORMULA: C30H29FO5
MOLECULAR WEIGHT: 488.546663
SMILES: CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC(=CC=C4)OC(=O)C5=CC=CC=C5F)C(=O)C1)C
Structure:
CAS RN: 5932-94-5
CAS Name: 1-[3-fluoro-4-[4-[(4-fluorophenyl)-oxomethyl]-1-piperazinyl]phenyl]-1-propanone
OPENEYE Name: 1-[3-fluoro-4-[4-(4-fluorobenzoyl)piperazin-1-yl]phenyl]propan-1-one
IUPAC Name: 1-[3-fluoro-4-[4-(4-fluorobenzoyl)piperazin-1-yl]phenyl]propan-1-one
SYSTEMATIC NAME: 1-[3-fluoranyl-4-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]phenyl]propan-1-one
MOLECULAR FORMULA: C20H20F2N2O2
MOLECULAR WEIGHT: 358.381806
SMILES: CCC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)F)F
Structure:
CAS RN: 6428-78-0
CAS Name: 4-chloro-N'-[4-(4-cyanophenyl)-2-thiazolyl]benzohydrazide
OPENEYE Name: 4-chloro-N'-[4-(4-cyanophenyl)thiazol-2-yl]benzohydrazide
IUPAC Name: 4-chloro-N'-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]benzohydrazide
SYSTEMATIC NAME: 4-chloranyl-N'-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]benzohydrazide
MOLECULAR FORMULA: C17H11ClN4OS
MOLECULAR WEIGHT: 354.81344
SMILES: C1=CC(=CC=C1C#N)C2=CSC(=N2)NNC(=O)C3=CC=C(C=C3)Cl
Structure:
CAS RN: 72002-23-4
CAS Name: N-(2,4,6-tribromophenyl)formamide
OPENEYE Name: N-(2,4,6-tribromophenyl)formamide
IUPAC Name: N-(2,4,6-tribromophenyl)formamide
SYSTEMATIC NAME: N-[2,4,6-tris(bromanyl)phenyl]methanamide
MOLECULAR FORMULA: C7H4Br3NO
MOLECULAR WEIGHT: 357.82476
SMILES: C1=C(C=C(C(=C1Br)NC=O)Br)Br
Structure:
CAS RN: 5791-75-3
CAS Name: 1-[4-[4-[(2-bromo-4,5-difluorophenyl)-oxomethyl]-1-piperazinyl]-3-fluorophenyl]ethanone
OPENEYE Name: 1-[4-[4-(2-bromo-4,5-difluoro-benzoyl)piperazin-1-yl]-3-fluoro-phenyl]ethanone
IUPAC Name: 1-[4-[4-(2-bromo-4,5-difluorobenzoyl)piperazin-1-yl]-3-fluorophenyl]ethanone
SYSTEMATIC NAME: 1-[4-[4-[2-bromanyl-4,5-bis(fluoranyl)phenyl]carbonylpiperazin-1-yl]-3-fluoranyl-phenyl]ethanone
MOLECULAR FORMULA: C19H16BrF3N2O2
MOLECULAR WEIGHT: 441.24175
SMILES: CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=C(C=C3Br)F)F)F
Structure:
CAS RN: 5836-69-1
CAS Name: 2-[3-chloro-4-[[(2,4-dichlorophenyl)-oxomethyl]amino]phenyl]-1,3-dioxo-5-isoindolecarboxylic acid
OPENEYE Name: 2-[3-chloro-4-[(2,4-dichlorobenzoyl)amino]phenyl]-1,3-dioxo-isoindoline-5-carboxylic acid
IUPAC Name: 2-[3-chloro-4-[(2,4-dichlorobenzoyl)amino]phenyl]-1,3-dioxoisoindole-5-carboxylic acid
SYSTEMATIC NAME: 2-[3-chloranyl-4-[(2,4-dichlorophenyl)carbonylamino]phenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid
MOLECULAR FORMULA: C22H11Cl3N2O5
MOLECULAR WEIGHT: 489.69214
SMILES: C1=CC2=C(C=C1C(=O)O)C(=O)N(C2=O)C3=CC(=C(C=C3)NC(=O)C4=C(C=C(C=C4)Cl)Cl)Cl
Structure:
CAS RN: 5803-19-0
CAS Name: 2-fluoro-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]benzamide
OPENEYE Name: 2-fluoro-N-[2-[2-(4-methoxyanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide
IUPAC Name: 2-fluoro-N-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide
SYSTEMATIC NAME: 2-fluoranyl-N-[2-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide
MOLECULAR FORMULA: C23H18FN3O3S2
MOLECULAR WEIGHT: 467.535723
SMILES: COC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC=C4F
Structure:
CAS RN: 6044-16-2
CAS Name: 4-[[(2-tert-butyl-1,3-dioxo-5-isoindolyl)-oxomethyl]amino]benzoic acid
OPENEYE Name: 4-[(2-tert-butyl-1,3-dioxo-isoindoline-5-carbonyl)amino]benzoic acid
IUPAC Name: 4-[(2-tert-butyl-1,3-dioxoisoindole-5-carbonyl)amino]benzoic acid
SYSTEMATIC NAME: 4-[[2-tert-butyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]benzoic acid
MOLECULAR FORMULA: C20H18N2O5
MOLECULAR WEIGHT: 366.36732
SMILES: CC(C)(C)N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)O
Structure:
CAS RN: 134700-31-5
CAS Name: 2-[(6-iodo-4-oxo-3,1-benzoxazin-2-yl)methyl]isoindole-1,3-dione
OPENEYE Name: 2-[(6-iodo-4-oxo-3,1-benzoxazin-2-yl)methyl]isoindoline-1,3-dione
IUPAC Name: 2-[(6-iodo-4-oxo-3,1-benzoxazin-2-yl)methyl]isoindole-1,3-dione
SYSTEMATIC NAME: 2-[(6-iodanyl-4-oxidanylidene-3,1-benzoxazin-2-yl)methyl]isoindole-1,3-dione
MOLECULAR FORMULA: C17H9IN2O4
MOLECULAR WEIGHT: 432.16883
SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=NC4=C(C=C(C=C4)I)C(=O)O3
Structure:
CAS RN: 5730-99-4
CAS Name: 2-[(6-iodo-4-oxo-3,1-benzoxazin-2-yl)methyl]isoindole-1,3-dione
OPENEYE Name: 2-[(6-iodo-4-oxo-3,1-benzoxazin-2-yl)methyl]isoindoline-1,3-dione
IUPAC Name: 2-[(6-iodo-4-oxo-3,1-benzoxazin-2-yl)methyl]isoindole-1,3-dione
SYSTEMATIC NAME: 2-[(6-iodanyl-4-oxidanylidene-3,1-benzoxazin-2-yl)methyl]isoindole-1,3-dione
MOLECULAR FORMULA: C17H9IN2O4
MOLECULAR WEIGHT: 432.16883
SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=NC4=C(C=C(C=C4)I)C(=O)O3
Structure:
CAS RN: 6069-94-9
CAS Name: N-(2,4-dimethoxyphenyl)-N-[2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]benzenesulfonamide
OPENEYE Name: N-(2,4-dimethoxyphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]benzenesulfonamide
IUPAC Name: N-(2,4-dimethoxyphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
SYSTEMATIC NAME: N-(2,4-dimethoxyphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]benzenesulfonamide
MOLECULAR FORMULA: C27H31N3O6S
MOLECULAR WEIGHT: 525.61654
SMILES: COC1=CC(=C(C=C1)N(CC(=O)N2CCN(CC2)C3=CC=CC=C3OC)S(=O)(=O)C4=CC=CC=C4)OC
Structure:
CAS RN: 6138-63-2
CAS Name: 2-iodo-N-[4-[(6-methoxy-4-pyrimidinyl)sulfamoyl]phenyl]benzamide
OPENEYE Name: 2-iodo-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
IUPAC Name: 2-iodo-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
SYSTEMATIC NAME: 2-iodanyl-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
MOLECULAR FORMULA: C18H15IN4O4S
MOLECULAR WEIGHT: 510.30557
SMILES: COC1=NC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3I
Structure:
CAS RN: 5186-54-9
CAS Name: 5-[(3-nitrophenyl)-oxomethyl]-2-(2-pyridinyl)isoindole-1,3-dione
OPENEYE Name: 5-(3-nitrobenzoyl)-2-(2-pyridyl)isoindoline-1,3-dione
IUPAC Name: 5-(3-nitrobenzoyl)-2-pyridin-2-ylisoindole-1,3-dione
SYSTEMATIC NAME: 5-(3-nitrophenyl)carbonyl-2-pyridin-2-yl-isoindole-1,3-dione
MOLECULAR FORMULA: C20H11N3O5
MOLECULAR WEIGHT: 373.31844
SMILES: C1=CC=NC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]
Structure:
CAS RN: 5763-84-8
CAS Name: 2-[(4-chlorophenyl)methylthio]-N-[[4-(3-thietanyloxy)phenyl]methylideneamino]acetamide
OPENEYE Name: 2-[(4-chlorophenyl)methylsulfanyl]-N-[[4-(thietan-3-yloxy)phenyl]methyleneamino]acetamide
IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-N-[[4-(thietan-3-yloxy)phenyl]methylideneamino]acetamide
SYSTEMATIC NAME: 2-[(4-chlorophenyl)methylsulfanyl]-N-[[4-(thietan-3-yloxy)phenyl]methylideneamino]ethanamide
MOLECULAR FORMULA: C19H19ClN2O2S2
MOLECULAR WEIGHT: 406.94936
SMILES: C1C(CS1)OC2=CC=C(C=C2)C=NNC(=O)CSCC3=CC=C(C=C3)Cl
Structure:
CAS RN: 6074-75-5
CAS Name: 9-(3-bromophenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione
OPENEYE Name: 9-(3-bromophenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione
IUPAC Name: 9-(3-bromophenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione
SYSTEMATIC NAME: 9-(3-bromophenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione
MOLECULAR FORMULA: C19H17BrO3
MOLECULAR WEIGHT: 373.24048
SMILES: C1CC2=C(C(C3=C(O2)CCCC3=O)C4=CC(=CC=C4)Br)C(=O)C1
Structure:
CAS RN: 141945-66-6
CAS Name: 3-nitro-1-phenyl-4-(phenylthio)-2-quinolinone
OPENEYE Name: 3-nitro-1-phenyl-4-phenylsulfanyl-quinolin-2-one
IUPAC Name: 3-nitro-1-phenyl-4-phenylsulfanylquinolin-2-one
SYSTEMATIC NAME: 3-nitro-1-phenyl-4-phenylsulfanyl-quinolin-2-one
MOLECULAR FORMULA: C21H14N2O3S
MOLECULAR WEIGHT: 374.41246
SMILES: C1=CC=C(C=C1)N2C3=CC=CC=C3C(=C(C2=O)[N+](=O)[O-])SC4=CC=CC=C4
Structure:
CAS RN: 94134-30-2
CAS Name: 2-[[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]anilino]-oxomethyl]benzoic acid
OPENEYE Name: 2-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]benzoic acid
IUPAC Name: 2-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]benzoic acid
SYSTEMATIC NAME: 2-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]benzoic acid
MOLECULAR FORMULA: C20H18N4O5S
MOLECULAR WEIGHT: 426.44572
SMILES: CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O)C
Structure:
CAS RN: 5291-99-6
CAS Name: N-[5-[(3,5-dichlorophenyl)methyl]-2-thiazolyl]-2-(2-pyrimidinylthio)acetamide
OPENEYE Name: N-[5-[(3,5-dichlorophenyl)methyl]thiazol-2-yl]-2-pyrimidin-2-ylsulfanyl-acetamide
IUPAC Name: N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-pyrimidin-2-ylsulfanylacetamide
SYSTEMATIC NAME: N-[5-[[3,5-bis(chloranyl)phenyl]methyl]-1,3-thiazol-2-yl]-2-pyrimidin-2-ylsulfanyl-ethanamide
MOLECULAR FORMULA: C16H12Cl2N4OS2
MOLECULAR WEIGHT: 411.32868
SMILES: C1=CN=C(N=C1)SCC(=O)NC2=NC=C(S2)CC3=CC(=CC(=C3)Cl)Cl
Structure:
CAS RN: 4843-91-8
CAS Name: 2-[4-[(2-chlorophenyl)methyl]-1-piperazinyl]-N-[(1-methyl-2-pyrrolyl)methylideneamino]acetamide
OPENEYE Name: 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(1-methylpyrrol-2-yl)methyleneamino]acetamide
IUPAC Name: 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(1-methylpyrrol-2-yl)methylideneamino]acetamide
SYSTEMATIC NAME: 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(1-methylpyrrol-2-yl)methylideneamino]ethanamide
MOLECULAR FORMULA: C19H24ClN5O
MOLECULAR WEIGHT: 373.87976
SMILES: CN1C=CC=C1C=NNC(=O)CN2CCN(CC2)CC3=CC=CC=C3Cl
Structure:
CAS RN: 6133-87-5
CAS Name: 3-chloro-4-(3-methoxyanilino)-1-(4-methoxyphenyl)pyrrole-2,5-dione
OPENEYE Name: 3-chloro-4-(3-methoxyanilino)-1-(4-methoxyphenyl)pyrrole-2,5-dione
IUPAC Name: 3-chloro-4-(3-methoxyanilino)-1-(4-methoxyphenyl)pyrrole-2,5-dione
SYSTEMATIC NAME: 3-chloranyl-1-(4-methoxyphenyl)-4-[(3-methoxyphenyl)amino]pyrrole-2,5-dione
MOLECULAR FORMULA: C18H15ClN2O4
MOLECULAR WEIGHT: 358.7757
SMILES: COC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)NC3=CC(=CC=C3)OC
Structure:
CAS RN: 6158-89-0
CAS Name: 2-[[2-(3-bromophenoxy)-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester
OPENEYE Name: dimethyl 2-[[2-(3-bromophenoxy)acetyl]amino]benzene-1,4-dicarboxylate
IUPAC Name: dimethyl 2-[[2-(3-bromophenoxy)acetyl]amino]benzene-1,4-dicarboxylate
SYSTEMATIC NAME: dimethyl 2-[2-(3-bromanylphenoxy)ethanoylamino]benzene-1,4-dicarboxylate
MOLECULAR FORMULA: C18H16BrNO6
MOLECULAR WEIGHT: 422.22674
SMILES: COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)COC2=CC(=CC=C2)Br
Structure:
CAS RN: 117267-39-7
CAS Name: N-[(8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)methyl]methanesulfonamide
OPENEYE Name: N-[(8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)methyl]methanesulfonamide
IUPAC Name: N-[(8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)methyl]methanesulfonamide
SYSTEMATIC NAME: N-[(8-chloranyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)methyl]methanesulfonamide
MOLECULAR FORMULA: C18H16ClN5O2S
MOLECULAR WEIGHT: 401.86994
SMILES: CS(=O)(=O)NCC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4
Structure:
CAS RN: 87213-50-1
CAS Name: 8-bromo-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
OPENEYE Name: 8-bromo-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
IUPAC Name: 8-bromo-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
SYSTEMATIC NAME: 8-bromanyl-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
MOLECULAR FORMULA: C17H12BrClN4
MOLECULAR WEIGHT: 387.66098
SMILES: CC1=NN=C2N1C3=C(C=C(C=C3)Br)C(=NC2)C4=CC=CC=C4Cl
Structure:
CAS RN: 71368-68-8
CAS Name: 1-bromo-8-chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
OPENEYE Name: 1-bromo-8-chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
IUPAC Name: 1-bromo-8-chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
SYSTEMATIC NAME: 1-bromanyl-8-chloranyl-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
MOLECULAR FORMULA: C16H9BrCl2N4
MOLECULAR WEIGHT: 408.07946
SMILES: C1C2=NN=C(N2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4Cl)Br
Structure:
CAS RN: 85677-76-5
CAS Name: 8-chloro-6-(2-chlorophenyl)-1-[(2-furanylmethylthio)methyl]-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
OPENEYE Name: 8-chloro-6-(2-chlorophenyl)-1-(2-furylmethylsulfanylmethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
IUPAC Name: 8-chloro-6-(2-chlorophenyl)-1-(furan-2-ylmethylsulfanylmethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
SYSTEMATIC NAME: 8-chloranyl-6-(2-chlorophenyl)-1-(furan-2-ylmethylsulfanylmethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
MOLECULAR FORMULA: C22H16Cl2N4OS
MOLECULAR WEIGHT: 455.35964
SMILES: C1C2=NN=C(N2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4Cl)CSCC5=CC=CO5
Structure:
CAS RN: 85677-84-5
CAS Name: 8-chloro-6-(2-chlorophenyl)-1-[(3-pyridinylmethylthio)methyl]-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
OPENEYE Name: 8-chloro-6-(2-chlorophenyl)-1-(3-pyridylmethylsulfanylmethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
IUPAC Name: 8-chloro-6-(2-chlorophenyl)-1-(pyridin-3-ylmethylsulfanylmethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
SYSTEMATIC NAME: 8-chloranyl-6-(2-chlorophenyl)-1-(pyridin-3-ylmethylsulfanylmethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
MOLECULAR FORMULA: C23H17Cl2N5S
MOLECULAR WEIGHT: 466.38558
SMILES: C1C2=NN=C(N2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4Cl)CSCC5=CN=CC=C5
Structure:
CAS RN: 85677-79-8
CAS Name: 8-chloro-6-(2-chlorophenyl)-1-[(methylthio)methyl]-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
OPENEYE Name: 8-chloro-6-(2-chlorophenyl)-1-(methylsulfanylmethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
IUPAC Name: 8-chloro-6-(2-chlorophenyl)-1-(methylsulfanylmethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
SYSTEMATIC NAME: 8-chloranyl-6-(2-chlorophenyl)-1-(methylsulfanylmethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
MOLECULAR FORMULA: C18H14Cl2N4S
MOLECULAR WEIGHT: 389.30156
SMILES: CSCC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4Cl
Structure:
CAS RN: 85677-78-7
CAS Name: 8-chloro-1-[(methylthio)methyl]-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
OPENEYE Name: 8-chloro-1-(methylsulfanylmethyl)-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
IUPAC Name: 8-chloro-1-(methylsulfanylmethyl)-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
SYSTEMATIC NAME: 8-chloranyl-1-(methylsulfanylmethyl)-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
MOLECULAR FORMULA: C18H15ClN4S
MOLECULAR WEIGHT: 354.8565
SMILES: CSCC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4
Structure:
CAS RN: 6031-50-1
CAS Name: N,N-diethyl-2-[[(2-fluorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-4-thiazolecarboxamide
OPENEYE Name: N,N-diethyl-2-[[(2-fluorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]thiazole-4-carboxamide
IUPAC Name: N,N-diethyl-2-[[(2-fluorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazole-4-carboxamide
SYSTEMATIC NAME: N,N-diethyl-2-[[(2-fluorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazole-4-carboxamide
MOLECULAR FORMULA: C24H25F4N3OS
MOLECULAR WEIGHT: 479.533413
SMILES: CCN(CC)C(=O)C1=CSC(=N1)CN(CC2=CC(=CC=C2)C(F)(F)F)CC3=CC=CC=C3F
Structure:
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