CAS RN: 380309-23-9
CAS Name: N-[2-chloro-5-(4-chlorophenyl)sulfonylphenyl]-2-hydroxy-3,5-diiodobenzamide
OPENEYE Name: N-[2-chloro-5-(4-chlorophenyl)sulfonyl-phenyl]-2-hydroxy-3,5-diiodo-benzamide
IUPAC Name: N-[2-chloro-5-(4-chlorophenyl)sulfonylphenyl]-2-hydroxy-3,5-diiodobenzamide
SYSTEMATIC NAME: N-[2-chloranyl-5-(4-chlorophenyl)sulfonyl-phenyl]-3,5-bis(iodanyl)-2-oxidanyl-benzamide
MOLECULAR FORMULA: C19H11Cl2I2NO4S
MOLECULAR WEIGHT: 674.07488
SMILES: C1=CC(=CC=C1S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CC(=CC(=C3O)I)I)Cl
Structure:
CAS RN: 31431-30-8
CAS Name: (4-amino-3-nitrophenyl)-thiophen-2-ylmethanone
OPENEYE Name: (4-amino-3-nitro-phenyl)-(2-thienyl)methanone
IUPAC Name: (4-amino-3-nitrophenyl)-thiophen-2-ylmethanone
SYSTEMATIC NAME: (4-azanyl-3-nitro-phenyl)-thiophen-2-yl-methanone
MOLECULAR FORMULA: C11H8N2O3S
MOLECULAR WEIGHT: 248.25782
SMILES: C1=CSC(=C1)C(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]
Structure:
CAS RN: 82121-05-9
CAS Name: 7-methoxy-1H-quinolin-4-one
OPENEYE Name: 7-methoxy-1H-quinolin-4-one
IUPAC Name: 7-methoxy-1H-quinolin-4-one
SYSTEMATIC NAME: 7-methoxy-1H-quinolin-4-one
MOLECULAR FORMULA: C10H9NO2
MOLECULAR WEIGHT: 175.18396
SMILES: COC1=CC2=C(C=C1)C(=O)C=CN2
Structure:
CAS RN: 5175-15-5
CAS Name: 4-methyl-N-(1-methyl-8-quinolin-1-iumyl)benzenesulfonamide iodide
OPENEYE Name: 4-methyl-N-(1-methylquinolin-1-ium-8-yl)benzenesulfonamide iodide
IUPAC Name: 4-methyl-N-(1-methylquinolin-1-ium-8-yl)benzenesulfonamide iodide
SYSTEMATIC NAME: 4-methyl-N-(1-methylquinolin-1-ium-8-yl)benzenesulfonamide iodide
MOLECULAR FORMULA: C17H17IN2O2S
MOLECULAR WEIGHT: 440.29855
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC3=C2[N+](=CC=C3)C.[I-]
Structure:
CAS RN: 106105-05-9
CAS Name: 5,5-diethyl-2-(2-methoxyanilino)-1H-pyrimidine-4,6-dione
OPENEYE Name: 5,5-diethyl-2-(2-methoxyanilino)-1H-pyrimidine-4,6-dione
IUPAC Name: 5,5-diethyl-2-(2-methoxyanilino)-1H-pyrimidine-4,6-dione
SYSTEMATIC NAME: 5,5-diethyl-2-[(2-methoxyphenyl)amino]-1H-pyrimidine-4,6-dione
MOLECULAR FORMULA: C15H19N3O3
MOLECULAR WEIGHT: 289.32966
SMILES: CCC1(C(=O)NC(=NC1=O)NC2=CC=CC=C2OC)CC
Structure:
CAS RN: 5170-12-7
CAS Name: N-(3-nitrophenyl)-2,2-diphenyl-1-cyclopropanecarboxamide
OPENEYE Name: N-(3-nitrophenyl)-2,2-diphenyl-cyclopropanecarboxamide
IUPAC Name: N-(3-nitrophenyl)-2,2-diphenylcyclopropane-1-carboxamide
SYSTEMATIC NAME: N-(3-nitrophenyl)-2,2-diphenyl-cyclopropane-1-carboxamide
MOLECULAR FORMULA: C22H18N2O3
MOLECULAR WEIGHT: 358.38992
SMILES: C1C(C1(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-]
Structure:
CAS RN: 52763-22-1
CAS Name: 3-oxo-1-azabicyclo[2.2.2]octane-2-carboxylic acid ethyl ester hydrochloride
OPENEYE Name: ethyl 3-oxoquinuclidine-2-carboxylate hydrochloride
IUPAC Name: ethyl 3-oxo-1-azabicyclo[2.2.2]octane-2-carboxylate hydrochloride
SYSTEMATIC NAME: ethyl 3-oxidanylidene-1-azabicyclo[2.2.2]octane-2-carboxylate hydrochloride
MOLECULAR FORMULA: C10H16ClNO3
MOLECULAR WEIGHT: 233.69194
SMILES: CCOC(=O)C1C(=O)C2CCN1CC2.Cl
Structure:
CAS RN: 137987-42-9
CAS Name: 4-(4-bromophenyl)-2,4,5,10-tetrahydro-1H-pyrrolo[3,4-c][1,5]benzodiazepin-3-one
OPENEYE Name: 4-(4-bromophenyl)-2,4,5,10-tetrahydro-1H-pyrrolo[3,4-c][1,5]benzodiazepin-3-one
IUPAC Name: 4-(4-bromophenyl)-2,4,5,10-tetrahydro-1H-pyrrolo[3,4-c][1,5]benzodiazepin-3-one
SYSTEMATIC NAME: 4-(4-bromophenyl)-2,4,5,10-tetrahydro-1H-pyrrolo[3,4-c][1,5]benzodiazepin-3-one
MOLECULAR FORMULA: C17H14BrN3O
MOLECULAR WEIGHT: 356.21656
SMILES: C1C2=C(C(NC3=CC=CC=C3N2)C4=CC=C(C=C4)Br)C(=O)N1
Structure:
CAS RN: 92884-66-7
CAS Name: N-(dimethylaminomethylidene)-2-(2-oxo-1-pyrrolidinyl)acetamide
OPENEYE Name: N-(dimethylaminomethylene)-2-(2-oxopyrrolidin-1-yl)acetamide
IUPAC Name: N-(dimethylaminomethylidene)-2-(2-oxopyrrolidin-1-yl)acetamide
SYSTEMATIC NAME: N-(dimethylaminomethylidene)-2-(2-oxidanylidenepyrrolidin-1-yl)ethanamide
MOLECULAR FORMULA: C9H15N3O2
MOLECULAR WEIGHT: 197.2343
SMILES: CN(C)C=NC(=O)CN1CCCC1=O
Structure:
CAS RN: 4267-90-7
CAS Name: 2-[[3-[2,3,5,6-tetrafluoro-4-[3-(2-oxiranylmethoxy)phenoxy]phenoxy]phenoxy]methyl]oxirane
OPENEYE Name: 2-[[3-[2,3,5,6-tetrafluoro-4-[3-(oxiran-2-ylmethoxy)phenoxy]phenoxy]phenoxy]methyl]oxirane
IUPAC Name: 2-[[3-[2,3,5,6-tetrafluoro-4-[3-(oxiran-2-ylmethoxy)phenoxy]phenoxy]phenoxy]methyl]oxirane
SYSTEMATIC NAME: 2-[[3-[2,3,5,6-tetrakis(fluoranyl)-4-[3-(oxiran-2-ylmethoxy)phenoxy]phenoxy]phenoxy]methyl]oxirane
MOLECULAR FORMULA: C24H18F4O6
MOLECULAR WEIGHT: 478.389733
SMILES: C1C(O1)COC2=CC=CC(=C2)OC3=C(C(=C(C(=C3F)F)OC4=CC(=CC=C4)OCC5CO5)F)F
Structure:
CAS RN: 3806-42-6
CAS Name: 5-(phenylmethylene)-2-sulfanylidene-4-thiazolidinone
OPENEYE Name: 5-benzylidene-2-thioxo-thiazolidin-4-one
IUPAC Name: 5-benzylidene-2-sulfanylidene-1,3-thiazolidin-4-one
SYSTEMATIC NAME: 5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
MOLECULAR FORMULA: C10H7NOS2
MOLECULAR WEIGHT: 221.29868
SMILES: C1=CC=C(C=C1)C=C2C(=O)NC(=S)S2
Structure:
CAS RN: 583-46-0
CAS Name: 5-(phenylmethylene)-2-sulfanylidene-4-imidazolidinone
OPENEYE Name: 5-benzylidene-2-thioxo-imidazolidin-4-one
IUPAC Name: 5-benzylidene-2-sulfanylideneimidazolidin-4-one
SYSTEMATIC NAME: 5-(phenylmethylidene)-2-sulfanylidene-imidazolidin-4-one
MOLECULAR FORMULA: C10H8N2OS
MOLECULAR WEIGHT: 204.24832
SMILES: C1=CC=C(C=C1)C=C2C(=O)NC(=S)N2
Structure:
CAS RN: 4168-81-4
CAS Name: 5-(phenylmethylene)-2-sulfanylidene-4-imidazolidinone
OPENEYE Name: 5-benzylidene-2-thioxo-imidazolidin-4-one
IUPAC Name: 5-benzylidene-2-sulfanylideneimidazolidin-4-one
SYSTEMATIC NAME: 5-(phenylmethylidene)-2-sulfanylidene-imidazolidin-4-one
MOLECULAR FORMULA: C10H8N2OS
MOLECULAR WEIGHT: 204.24832
SMILES: C1=CC=C(C=C1)C=C2C(=O)NC(=S)N2
Structure:
CAS RN: 6308-22-1
CAS Name: 5-[(2-nitrophenyl)methylidene]-2-sulfanylidene-4-thiazolidinone
OPENEYE Name: 5-[(2-nitrophenyl)methylene]-2-thioxo-thiazolidin-4-one
IUPAC Name: 5-[(2-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SYSTEMATIC NAME: 5-[(2-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MOLECULAR FORMULA: C10H6N2O3S2
MOLECULAR WEIGHT: 266.29624
SMILES: C1=CC=C(C(=C1)C=C2C(=O)NC(=S)S2)[N+](=O)[O-]
Structure:
CAS RN: 5447-37-0
CAS Name: 5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-4-thiazolidinone
OPENEYE Name: 5-[(4-hydroxy-3-methoxy-phenyl)methylene]-2-thioxo-thiazolidin-4-one
IUPAC Name: 5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SYSTEMATIC NAME: 5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MOLECULAR FORMULA: C11H9NO3S2
MOLECULAR WEIGHT: 267.32406
SMILES: COC1=C(C=CC(=C1)C=C2C(=O)NC(=S)S2)O
Structure:
CAS RN: 32596-84-2
CAS Name: 1-methyl-3-quinolin-1-iumamine iodide
OPENEYE Name: 1-methylquinolin-1-ium-3-amine iodide
IUPAC Name: 1-methylquinolin-1-ium-3-amine iodide
SYSTEMATIC NAME: 1-methylquinolin-1-ium-3-amine iodide
MOLECULAR FORMULA: C10H11IN2
MOLECULAR WEIGHT: 286.11221
SMILES: C[N+]1=CC(=CC2=CC=CC=C21)N.[I-]
Structure:
CAS RN: 5160-80-5
CAS Name: 5-(4-nitrophenoxy)-2-(4-nitrophenyl)isoindole-1,3-dione
OPENEYE Name: 5-(4-nitrophenoxy)-2-(4-nitrophenyl)isoindoline-1,3-dione
IUPAC Name: 5-(4-nitrophenoxy)-2-(4-nitrophenyl)isoindole-1,3-dione
SYSTEMATIC NAME: 5-(4-nitrophenoxy)-2-(4-nitrophenyl)isoindole-1,3-dione
MOLECULAR FORMULA: C20H11N3O7
MOLECULAR WEIGHT: 405.31724
SMILES: C1=CC(=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 137427-82-8
CAS Name: 1-[2-(4-chlorophenoxy)-1-oxoethyl]-4-phenyl-2-pyrrolidinone
OPENEYE Name: 1-[2-(4-chlorophenoxy)acetyl]-4-phenyl-pyrrolidin-2-one
IUPAC Name: 1-[2-(4-chlorophenoxy)acetyl]-4-phenylpyrrolidin-2-one
SYSTEMATIC NAME: 1-[2-(4-chloranylphenoxy)ethanoyl]-4-phenyl-pyrrolidin-2-one
MOLECULAR FORMULA: C18H16ClNO3
MOLECULAR WEIGHT: 329.77754
SMILES: C1C(CN(C1=O)C(=O)COC2=CC=C(C=C2)Cl)C3=CC=CC=C3
Structure:
CAS RN: 29635-81-2
CAS Name: 3-phenyl-5-propan-2-yl-2-sulfanylidene-4-imidazolidinone
OPENEYE Name: 5-isopropyl-3-phenyl-2-thioxo-imidazolidin-4-one
IUPAC Name: 3-phenyl-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one
SYSTEMATIC NAME: 3-phenyl-5-propan-2-yl-2-sulfanylidene-imidazolidin-4-one
MOLECULAR FORMULA: C12H14N2OS
MOLECULAR WEIGHT: 234.31736
SMILES: CC(C)C1C(=O)N(C(=S)N1)C2=CC=CC=C2
Structure:
CAS RN: 5158-68-9
CAS Name: 3-nitro-N-[2,2,2-trichloro-1-[[4-morpholinyl(sulfanylidene)methyl]amino]ethyl]benzamide
OPENEYE Name: 3-nitro-N-[2,2,2-trichloro-1-(morpholine-4-carbothioylamino)ethyl]benzamide
IUPAC Name: 3-nitro-N-[2,2,2-trichloro-1-(morpholine-4-carbothioylamino)ethyl]benzamide
SYSTEMATIC NAME: 3-nitro-N-[2,2,2-tris(chloranyl)-1-(morpholin-4-ylcarbothioylamino)ethyl]benzamide
MOLECULAR FORMULA: C14H15Cl3N4O4S
MOLECULAR WEIGHT: 441.7173
SMILES: C1COCCN1C(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]
Structure:
CAS RN: 5157-71-1
CAS Name: 4-nitro-N-[2,2,2-trichloro-1-(2,5-dimethylanilino)ethyl]benzamide
OPENEYE Name: 4-nitro-N-[2,2,2-trichloro-1-(2,5-dimethylanilino)ethyl]benzamide
IUPAC Name: 4-nitro-N-[2,2,2-trichloro-1-(2,5-dimethylanilino)ethyl]benzamide
SYSTEMATIC NAME: 4-nitro-N-[2,2,2-tris(chloranyl)-1-[(2,5-dimethylphenyl)amino]ethyl]benzamide
MOLECULAR FORMULA: C17H16Cl3N3O3
MOLECULAR WEIGHT: 416.68624
SMILES: CC1=CC(=C(C=C1)C)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 5157-65-3
CAS Name: N-(1-anilino-2,2,2-trichloroethyl)-3-methylbenzamide
OPENEYE Name: N-(1-anilino-2,2,2-trichloro-ethyl)-3-methyl-benzamide
IUPAC Name: N-(1-anilino-2,2,2-trichloroethyl)-3-methylbenzamide
SYSTEMATIC NAME: 3-methyl-N-[2,2,2-tris(chloranyl)-1-phenylazanyl-ethyl]benzamide
MOLECULAR FORMULA: C16H15Cl3N2O
MOLECULAR WEIGHT: 357.6621
SMILES: CC1=CC=CC(=C1)C(=O)NC(C(Cl)(Cl)Cl)NC2=CC=CC=C2
Structure:
CAS RN: 5156-32-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H15NO4
MOLECULAR WEIGHT: 297.3053
SMILES: CC(=O)OC1=CC=CC(=C1)N2C(=O)C3C4CC(C3C2=O)C=C4
Structure:
CAS RN: 5155-99-7
CAS Name: 3-(2-aminoanilino)-5,5-dimethyl-1-cyclohex-2-enone
OPENEYE Name: 3-(2-aminoanilino)-5,5-dimethyl-cyclohex-2-en-1-one
IUPAC Name: 3-(2-aminoanilino)-5,5-dimethylcyclohex-2-en-1-one
SYSTEMATIC NAME: 3-[(2-aminophenyl)amino]-5,5-dimethyl-cyclohex-2-en-1-one
MOLECULAR FORMULA: C14H18N2O
MOLECULAR WEIGHT: 230.30552
SMILES: CC1(CC(=CC(=O)C1)NC2=CC=CC=C2N)C
Structure:
CAS RN: 5155-77-1
CAS Name: 1,1-dibutyl-3-(3-methyl-1,1-dioxo-3-thiolanyl)urea
OPENEYE Name: 1,1-dibutyl-3-(3-methyl-1,1-dioxo-thiolan-3-yl)urea
IUPAC Name: 1,1-dibutyl-3-(3-methyl-1,1-dioxothiolan-3-yl)urea
SYSTEMATIC NAME: 1,1-dibutyl-3-[3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]urea
MOLECULAR FORMULA: C14H28N2O3S
MOLECULAR WEIGHT: 304.44872
SMILES: CCCCN(CCCC)C(=O)NC1(CCS(=O)(=O)C1)C
Structure:
CAS RN: 5155-68-0
CAS Name: thiocyanic acid [1-cyano-2-(3-nitrophenyl)ethyl] ester
OPENEYE Name: [1-cyano-2-(3-nitrophenyl)ethyl] thiocyanate
IUPAC Name: [1-cyano-2-(3-nitrophenyl)ethyl] thiocyanate
SYSTEMATIC NAME: [1-cyano-2-(3-nitrophenyl)ethyl] thiocyanate
MOLECULAR FORMULA: C10H7N3O2S
MOLECULAR WEIGHT: 233.24648
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])CC(C#N)SC#N
Structure:
CAS RN: 5155-67-9
CAS Name: thiocyanic acid [1-cyano-2-(4-nitrophenyl)ethyl] ester
OPENEYE Name: [1-cyano-2-(4-nitrophenyl)ethyl] thiocyanate
IUPAC Name: [1-cyano-2-(4-nitrophenyl)ethyl] thiocyanate
SYSTEMATIC NAME: [1-cyano-2-(4-nitrophenyl)ethyl] thiocyanate
MOLECULAR FORMULA: C10H7N3O2S
MOLECULAR WEIGHT: 233.24648
SMILES: C1=CC(=CC=C1CC(C#N)SC#N)[N+](=O)[O-]
Structure:
CAS RN: 5155-42-0
CAS Name: 2,7-dimethoxy-9-xanthenone
OPENEYE Name: 2,7-dimethoxyxanthen-9-one
IUPAC Name: 2,7-dimethoxyxanthen-9-one
SYSTEMATIC NAME: 2,7-dimethoxyxanthen-9-one
MOLECULAR FORMULA: C15H12O4
MOLECULAR WEIGHT: 256.25338
SMILES: COC1=CC2=C(C=C1)OC3=C(C2=O)C=C(C=C3)OC
Structure:
CAS RN: 5154-41-6
CAS Name: 1-butan-2-yl-3-(4-chlorophenyl)urea
OPENEYE Name: 1-(4-chlorophenyl)-3-sec-butyl-urea
IUPAC Name: 1-butan-2-yl-3-(4-chlorophenyl)urea
SYSTEMATIC NAME: 1-butan-2-yl-3-(4-chlorophenyl)urea
MOLECULAR FORMULA: C11H15ClN2O
MOLECULAR WEIGHT: 226.7026
SMILES: CCC(C)NC(=O)NC1=CC=C(C=C1)Cl
Structure:
CAS RN: 22816-60-0
CAS Name: carbamimidothioic acid (3,4-dichlorophenyl)methyl ester hydrochloride
OPENEYE Name: 2-[(3,4-dichlorophenyl)methyl]isothiourea hydrochloride
IUPAC Name: (3,4-dichlorophenyl)methyl carbamimidothioate hydrochloride
SYSTEMATIC NAME: (3,4-dichlorophenyl)methyl carbamimidothioate hydrochloride
MOLECULAR FORMULA: C8H9Cl3N2S
MOLECULAR WEIGHT: 271.59446
SMILES: C1=CC(=C(C=C1CSC(=N)N)Cl)Cl.Cl
Structure:
CAS RN: 134480-48-1
CAS Name: 4-[2-(ethylthio)ethyl]pyridine; oxalic acid
OPENEYE Name: 4-(2-ethylsulfanylethyl)pyridine; oxalic acid
IUPAC Name: 4-(2-ethylsulfanylethyl)pyridine; oxalic acid
SYSTEMATIC NAME: ethanedioic acid; 4-(2-ethylsulfanylethyl)pyridine
MOLECULAR FORMULA: C11H15NO4S
MOLECULAR WEIGHT: 257.3061
SMILES: CCSCCC1=CC=NC=C1.C(=O)(C(=O)O)O
Structure:
CAS RN: 134480-49-2
CAS Name: oxalic acid; 4-[2-(propylthio)ethyl]pyridine
OPENEYE Name: oxalic acid; 4-(2-propylsulfanylethyl)pyridine
IUPAC Name: oxalic acid; 4-(2-propylsulfanylethyl)pyridine
SYSTEMATIC NAME: ethanedioic acid; 4-(2-propylsulfanylethyl)pyridine
MOLECULAR FORMULA: C12H17NO4S
MOLECULAR WEIGHT: 271.33268
SMILES: CCCSCCC1=CC=NC=C1.C(=O)(C(=O)O)O
Structure:
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