CAS RN: 6300-85-2
CAS Name: 1-(2-chlorophenyl)-3-[(5-nitro-2-pyridinyl)amino]urea
OPENEYE Name: 1-(2-chlorophenyl)-3-[(5-nitro-2-pyridyl)amino]urea
IUPAC Name: 1-(2-chlorophenyl)-3-[(5-nitropyridin-2-yl)amino]urea
SYSTEMATIC NAME: 1-(2-chlorophenyl)-3-[(5-nitropyridin-2-yl)amino]urea
MOLECULAR FORMULA: C12H10ClN5O3
MOLECULAR WEIGHT: 307.6925
SMILES: C1=CC=C(C(=C1)NC(=O)NNC2=NC=C(C=C2)[N+](=O)[O-])Cl
Structure:
CAS RN: 3694-52-8
CAS Name: 3-nitrobenzene-1,2-diamine
OPENEYE Name: 3-nitrobenzene-1,2-diamine
IUPAC Name: 3-nitrobenzene-1,2-diamine
SYSTEMATIC NAME: 3-nitrobenzene-1,2-diamine
MOLECULAR FORMULA: C6H7N3O2
MOLECULAR WEIGHT: 153.13868
SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])N)N
Structure:
CAS RN: 73821-95-1
CAS Name: 4-cyclohexyloxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxobutanoic acid
OPENEYE Name: 2-(tert-butoxycarbonylamino)-4-(cyclohexoxy)-4-oxo-butanoic acid
IUPAC Name: 4-cyclohexyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
SYSTEMATIC NAME: 4-cyclohexyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C15H25NO6
MOLECULAR WEIGHT: 315.3621
SMILES: CC(C)(C)OC(=O)NC(CC(=O)OC1CCCCC1)C(=O)O
Structure:
CAS RN: 383128-41-4
CAS Name: 2-(2-fluorophenyl)piperidine
OPENEYE Name: 2-(2-fluorophenyl)piperidine
IUPAC Name: 2-(2-fluorophenyl)piperidine
SYSTEMATIC NAME: 2-(2-fluorophenyl)piperidine
MOLECULAR FORMULA: C11H14FN
MOLECULAR WEIGHT: 179.233963
SMILES: C1CCNC(C1)C2=CC=CC=C2F
Structure:
CAS RN: 15707-33-2
CAS Name: 2-azido-3-methoxynaphthalene-1,4-dione
OPENEYE Name: 2-azido-3-methoxy-naphthalene-1,4-dione
IUPAC Name: 2-azido-3-methoxynaphthalene-1,4-dione
SYSTEMATIC NAME: 2-azido-3-methoxy-naphthalene-1,4-dione
MOLECULAR FORMULA: C11H7N3O3
MOLECULAR WEIGHT: 229.19158
SMILES: COC1=C(C(=O)C2=CC=CC=C2C1=O)N=[N+]=[N-]
Structure:
CAS RN: 5459-48-3
CAS Name: N-(7-acetamido-3,6-dinitro-9H-fluoren-2-yl)acetamide
OPENEYE Name: N-(7-acetamido-3,6-dinitro-9H-fluoren-2-yl)acetamide
IUPAC Name: N-(7-acetamido-3,6-dinitro-9H-fluoren-2-yl)acetamide
SYSTEMATIC NAME: N-(7-acetamido-3,6-dinitro-9H-fluoren-2-yl)ethanamide
MOLECULAR FORMULA: C17H14N4O6
MOLECULAR WEIGHT: 370.31626
SMILES: CC(=O)NC1=C(C=C2C(=C1)CC3=CC(=C(C=C32)[N+](=O)[O-])NC(=O)C)[N+](=O)[O-]
Structure:
CAS RN: 208519-08-8
CAS Name: 5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-amine
OPENEYE Name: 5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-amine
IUPAC Name: 5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-amine
SYSTEMATIC NAME: 5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-amine
MOLECULAR FORMULA: C11H13N3O2
MOLECULAR WEIGHT: 219.23982
SMILES: COC1=C(C=C(C=C1)C2=CC(=NN2)N)OC
Structure:
CAS RN: 1673-59-2
CAS Name: [[(5-nitro-2-furanyl)-oxomethyl]amino]thiourea
OPENEYE Name: [(5-nitrofuran-2-carbonyl)amino]thiourea
IUPAC Name: [(5-nitrofuran-2-carbonyl)amino]thiourea
SYSTEMATIC NAME: 1-[(5-nitrofuran-2-yl)carbonylamino]thiourea
MOLECULAR FORMULA: C6H6N4O4S
MOLECULAR WEIGHT: 230.20124
SMILES: C1=C(OC(=C1)[N+](=O)[O-])C(=O)NNC(=S)N
Structure:
CAS RN: 27548-93-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C31H38O11
MOLECULAR WEIGHT: 586.62682
SMILES: CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)OC(=O)C
Structure:
CAS RN: 22719-28-4
CAS Name: 1,2-bis(4-nitrophenyl)hydrazine
OPENEYE Name: 1,2-bis(4-nitrophenyl)hydrazine
IUPAC Name: 1,2-bis(4-nitrophenyl)hydrazine
SYSTEMATIC NAME: 1,2-bis(4-nitrophenyl)diazane
MOLECULAR FORMULA: C12H10N4O4
MOLECULAR WEIGHT: 274.2322
SMILES: C1=CC(=CC=C1NNC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 6577-95-3
CAS Name: 3-methyl-1,5,6,7-tetrahydroindol-4-one
OPENEYE Name: 3-methyl-1,5,6,7-tetrahydroindol-4-one
IUPAC Name: 3-methyl-1,5,6,7-tetrahydroindol-4-one
SYSTEMATIC NAME: 3-methyl-1,5,6,7-tetrahydroindol-4-one
MOLECULAR FORMULA: C9H11NO
MOLECULAR WEIGHT: 149.18974
SMILES: CC1=CNC2=C1C(=O)CCC2
Structure:
CAS RN: 5444-52-0
CAS Name: N-(3-propan-2-yloxypropyl)-7H-purin-6-amine
OPENEYE Name: N-(3-isopropoxypropyl)-7H-purin-6-amine
IUPAC Name: N-(3-propan-2-yloxypropyl)-7H-purin-6-amine
SYSTEMATIC NAME: N-(3-propan-2-yloxypropyl)-7H-purin-6-amine
MOLECULAR FORMULA: C11H17N5O
MOLECULAR WEIGHT: 235.28558
SMILES: CC(C)OCCCNC1=NC=NC2=C1NC=N2
Structure:
CAS RN: 79623-15-7
CAS Name: 2-(4-methoxyphenyl)oxolane
OPENEYE Name: 2-(4-methoxyphenyl)tetrahydrofuran
IUPAC Name: 2-(4-methoxyphenyl)oxolane
SYSTEMATIC NAME: 2-(4-methoxyphenyl)oxolane
MOLECULAR FORMULA: C11H14O2
MOLECULAR WEIGHT: 178.22766
SMILES: COC1=CC=C(C=C1)C2CCCO2
Structure:
CAS RN: 69978-45-6
CAS Name: 10-methyl-1,4,7-trioxa-10-azoniacyclododecane
OPENEYE Name: 10-methyl-1,4,7-trioxa-10-azoniacyclododecane
IUPAC Name: 10-methyl-1,4,7-trioxa-10-azoniacyclododecane
SYSTEMATIC NAME: 10-methyl-1,4,7-trioxa-10-azoniacyclododecane
MOLECULAR FORMULA: C9H20NO3+
MOLECULAR WEIGHT: 190.26
SMILES: C[NH+]1CCOCCOCCOCC1
Structure:
CAS RN: 41775-76-2
CAS Name: 1,4,7-trioxa-10-azoniacyclododecane
OPENEYE Name: 1,4,7-trioxa-10-azoniacyclododecane
IUPAC Name: 1,4,7-trioxa-10-azoniacyclododecane
SYSTEMATIC NAME: 1,4,7-trioxa-10-azoniacyclododecane
MOLECULAR FORMULA: C8H18NO3+
MOLECULAR WEIGHT: 176.23342
SMILES: C1COCCOCCOCC[NH2+]1
Structure:
CAS RN: 14512-85-7
CAS Name: thiocyanic acid (4-amino-3-fluorophenyl) ester
OPENEYE Name: (4-amino-3-fluoro-phenyl) thiocyanate
IUPAC Name: (4-amino-3-fluorophenyl) thiocyanate
SYSTEMATIC NAME: (4-azanyl-3-fluoranyl-phenyl) thiocyanate
MOLECULAR FORMULA: C7H5FN2S
MOLECULAR WEIGHT: 168.191403
SMILES: C1=CC(=C(C=C1SC#N)F)N
Structure:
CAS RN: 667436-12-6
CAS Name: 6-(2-methylbutan-2-yl)-1-benzothiophene-3-carboxylic acid
OPENEYE Name: 6-(1,1-dimethylpropyl)benzothiophene-3-carboxylic acid
IUPAC Name: 6-(2-methylbutan-2-yl)-1-benzothiophene-3-carboxylic acid
SYSTEMATIC NAME: 6-(2-methylbutan-2-yl)-1-benzothiophene-3-carboxylic acid
MOLECULAR FORMULA: C14H16O2S
MOLECULAR WEIGHT: 248.34064
SMILES: CCC(C)(C)C1=CC2=C(C=C1)C(=CS2)C(=O)O
Structure:
CAS RN: 5334-27-0
CAS Name: 1-methyl-6-sulfanylidene-2H-pyrazolo[3,4-d]pyrimidin-4-one
OPENEYE Name: 1-methyl-6-thioxo-2H-pyrazolo[3,4-d]pyrimidin-4-one
IUPAC Name: 1-methyl-6-sulfanylidene-2H-pyrazolo[3,4-d]pyrimidin-4-one
SYSTEMATIC NAME: 1-methyl-6-sulfanylidene-2H-pyrazolo[3,4-d]pyrimidin-4-one
MOLECULAR FORMULA: C6H6N4OS
MOLECULAR WEIGHT: 182.20304
SMILES: CN1C2=NC(=S)NC(=O)C2=CN1
Structure:
CAS RN: 18667-42-0
CAS Name: [15-(carbamothioylhydrazinylidene)hexadecan-2-ylideneamino]thiourea
OPENEYE Name: [[14-(carbamothioylhydrazono)-1-methyl-pentadecylidene]amino]thiourea
IUPAC Name: [15-(carbamothioylhydrazinylidene)hexadecan-2-ylideneamino]thiourea
SYSTEMATIC NAME: 1-[15-(carbamothioylhydrazinylidene)hexadecan-2-ylideneamino]thiourea
MOLECULAR FORMULA: C18H36N6S2
MOLECULAR WEIGHT: 400.64864
SMILES: CC(=NNC(=S)N)CCCCCCCCCCCCC(=NNC(=S)N)C
Structure:
CAS RN: 24743-55-3
CAS Name: 4-(2,5-dimethylphenyl)azo-3,5-diphenyl-1-pyrazolecarbothioamide
OPENEYE Name: 4-(2,5-dimethylphenyl)azo-3,5-diphenyl-pyrazole-1-carbothioamide
IUPAC Name: 4-[(2,5-dimethylphenyl)diazenyl]-3,5-diphenylpyrazole-1-carbothioamide
SYSTEMATIC NAME: 4-[(2,5-dimethylphenyl)diazenyl]-3,5-diphenyl-pyrazole-1-carbothioamide
MOLECULAR FORMULA: C24H21N5S
MOLECULAR WEIGHT: 411.52204
SMILES: CC1=CC(=C(C=C1)C)N=NC2=C(N(N=C2C3=CC=CC=C3)C(=S)N)C4=CC=CC=C4
Structure:
CAS RN: 24743-54-2
CAS Name: 4-(2,4-dimethylphenyl)azo-3,5-diphenyl-1-pyrazolecarbothioamide
OPENEYE Name: 4-(2,4-dimethylphenyl)azo-3,5-diphenyl-pyrazole-1-carbothioamide
IUPAC Name: 4-[(2,4-dimethylphenyl)diazenyl]-3,5-diphenylpyrazole-1-carbothioamide
SYSTEMATIC NAME: 4-[(2,4-dimethylphenyl)diazenyl]-3,5-diphenyl-pyrazole-1-carbothioamide
MOLECULAR FORMULA: C24H21N5S
MOLECULAR WEIGHT: 411.52204
SMILES: CC1=CC(=C(C=C1)N=NC2=C(N(N=C2C3=CC=CC=C3)C(=S)N)C4=CC=CC=C4)C
Structure:
CAS RN: 24743-51-9
CAS Name: 4-(4-methoxyphenyl)azo-3,5-diphenyl-1-pyrazolecarbothioamide
OPENEYE Name: 4-(4-methoxyphenyl)azo-3,5-diphenyl-pyrazole-1-carbothioamide
IUPAC Name: 4-[(4-methoxyphenyl)diazenyl]-3,5-diphenylpyrazole-1-carbothioamide
SYSTEMATIC NAME: 4-[(4-methoxyphenyl)diazenyl]-3,5-diphenyl-pyrazole-1-carbothioamide
MOLECULAR FORMULA: C23H19N5OS
MOLECULAR WEIGHT: 413.49486
SMILES: COC1=CC=C(C=C1)N=NC2=C(N(N=C2C3=CC=CC=C3)C(=S)N)C4=CC=CC=C4
Structure:
CAS RN: 24743-49-5
CAS Name: 4-(2-methoxyphenyl)azo-3,5-diphenyl-1-pyrazolecarbothioamide
OPENEYE Name: 4-(2-methoxyphenyl)azo-3,5-diphenyl-pyrazole-1-carbothioamide
IUPAC Name: 4-[(2-methoxyphenyl)diazenyl]-3,5-diphenylpyrazole-1-carbothioamide
SYSTEMATIC NAME: 4-[(2-methoxyphenyl)diazenyl]-3,5-diphenyl-pyrazole-1-carbothioamide
MOLECULAR FORMULA: C23H19N5OS
MOLECULAR WEIGHT: 413.49486
SMILES: COC1=CC=CC=C1N=NC2=C(N(N=C2C3=CC=CC=C3)C(=S)N)C4=CC=CC=C4
Structure:
CAS RN: 24743-53-1
CAS Name: 4-(3-nitrophenyl)azo-3,5-diphenyl-1-pyrazolecarbothioamide
OPENEYE Name: 4-(3-nitrophenyl)azo-3,5-diphenyl-pyrazole-1-carbothioamide
IUPAC Name: 4-[(3-nitrophenyl)diazenyl]-3,5-diphenylpyrazole-1-carbothioamide
SYSTEMATIC NAME: 4-[(3-nitrophenyl)diazenyl]-3,5-diphenyl-pyrazole-1-carbothioamide
MOLECULAR FORMULA: C22H16N6O2S
MOLECULAR WEIGHT: 428.46644
SMILES: C1=CC=C(C=C1)C2=C(C(=NN2C(=S)N)C3=CC=CC=C3)N=NC4=CC(=CC=C4)[N+](=O)[O-]
Structure:
CAS RN: 24743-48-4
CAS Name: 4-(4-bromophenyl)azo-3,5-diphenyl-1-pyrazolecarbothioamide
OPENEYE Name: 4-(4-bromophenyl)azo-3,5-diphenyl-pyrazole-1-carbothioamide
IUPAC Name: 4-[(4-bromophenyl)diazenyl]-3,5-diphenylpyrazole-1-carbothioamide
SYSTEMATIC NAME: 4-[(4-bromophenyl)diazenyl]-3,5-diphenyl-pyrazole-1-carbothioamide
MOLECULAR FORMULA: C22H16BrN5S
MOLECULAR WEIGHT: 462.36494
SMILES: C1=CC=C(C=C1)C2=C(C(=NN2C(=S)N)C3=CC=CC=C3)N=NC4=CC=C(C=C4)Br
Structure:
CAS RN: 24743-47-3
CAS Name: 4-(4-chlorophenyl)azo-3,5-diphenyl-1-pyrazolecarbothioamide
OPENEYE Name: 4-(4-chlorophenyl)azo-3,5-diphenyl-pyrazole-1-carbothioamide
IUPAC Name: 4-[(4-chlorophenyl)diazenyl]-3,5-diphenylpyrazole-1-carbothioamide
SYSTEMATIC NAME: 4-[(4-chlorophenyl)diazenyl]-3,5-diphenyl-pyrazole-1-carbothioamide
MOLECULAR FORMULA: C22H16ClN5S
MOLECULAR WEIGHT: 417.91394
SMILES: C1=CC=C(C=C1)C2=C(C(=NN2C(=S)N)C3=CC=CC=C3)N=NC4=CC=C(C=C4)Cl
Structure:
CAS RN: 24749-16-4
CAS Name: 4-(3-chlorophenyl)azo-3,5-diphenyl-1-pyrazolecarbothioamide
OPENEYE Name: 4-(3-chlorophenyl)azo-3,5-diphenyl-pyrazole-1-carbothioamide
IUPAC Name: 4-[(3-chlorophenyl)diazenyl]-3,5-diphenylpyrazole-1-carbothioamide
SYSTEMATIC NAME: 4-[(3-chlorophenyl)diazenyl]-3,5-diphenyl-pyrazole-1-carbothioamide
MOLECULAR FORMULA: C22H16ClN5S
MOLECULAR WEIGHT: 417.91394
SMILES: C1=CC=C(C=C1)C2=C(C(=NN2C(=S)N)C3=CC=CC=C3)N=NC4=CC(=CC=C4)Cl
Structure:
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