CAS RN: 99419-73-5
CAS Name: 3-(3-pyridinyl)-2-sulfanylidene-4-thiazolidinone
OPENEYE Name: 3-(3-pyridyl)-2-thioxo-thiazolidin-4-one
IUPAC Name: 3-pyridin-3-yl-2-sulfanylidene-1,3-thiazolidin-4-one
SYSTEMATIC NAME: 3-pyridin-3-yl-2-sulfanylidene-1,3-thiazolidin-4-one
MOLECULAR FORMULA: C8H6N2OS2
MOLECULAR WEIGHT: 210.27604
SMILES: C1C(=O)N(C(=S)S1)C2=CN=CC=C2
Structure:
CAS RN: 109768-66-3
CAS Name: N-phenyl-4H-3,1-benzothiazin-2-amine
OPENEYE Name: N-phenyl-4H-3,1-benzothiazin-2-amine
IUPAC Name: N-phenyl-4H-3,1-benzothiazin-2-amine
SYSTEMATIC NAME: N-phenyl-4H-3,1-benzothiazin-2-amine
MOLECULAR FORMULA: C14H12N2S
MOLECULAR WEIGHT: 240.32348
SMILES: C1C2=CC=CC=C2N=C(S1)NC3=CC=CC=C3
Structure:
CAS RN: 26332-10-5
CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-5-methylimidazolidine-2,4-dione
OPENEYE Name: 5-(1,3-benzodioxol-5-ylmethyl)-5-methyl-imidazolidine-2,4-dione
IUPAC Name: 5-(1,3-benzodioxol-5-ylmethyl)-5-methylimidazolidine-2,4-dione
SYSTEMATIC NAME: 5-(1,3-benzodioxol-5-ylmethyl)-5-methyl-imidazolidine-2,4-dione
MOLECULAR FORMULA: C12H12N2O4
MOLECULAR WEIGHT: 248.23468
SMILES: CC1(C(=O)NC(=O)N1)CC2=CC3=C(C=C2)OCO3
Structure:
CAS RN: 40106-12-5
CAS Name: 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
OPENEYE Name: 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
IUPAC Name: 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
SYSTEMATIC NAME: 2-azanyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
MOLECULAR FORMULA: C10H14N2OS
MOLECULAR WEIGHT: 210.29596
SMILES: C1CCC2=C(CC1)SC(=C2C(=O)N)N
Structure:
CAS RN: 5565-54-8
CAS Name: 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid [2-[1-(1-methoxypropan-2-yl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester
OPENEYE Name: [2-[1-(2-methoxy-1-methyl-ethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
IUPAC Name: [2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
SYSTEMATIC NAME: [2-[1-(1-methoxypropan-2-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
MOLECULAR FORMULA: C20H25N5O4
MOLECULAR WEIGHT: 399.4436
SMILES: CC1=CC(=NC2=NC(=NN12)C(=O)OCC(=O)C3=C(N(C(=C3)C)C(C)COC)C)C
Structure:
CAS RN: 65976-40-1
CAS Name: 1-[4-[3-(4-morpholinyl)propoxy]phenyl]-1-propanone hydrochloride
OPENEYE Name: 1-[4-(3-morpholinopropoxy)phenyl]propan-1-one hydrochloride
IUPAC Name: 1-[4-(3-morpholin-4-ylpropoxy)phenyl]propan-1-one hydrochloride
SYSTEMATIC NAME: 1-[4-(3-morpholin-4-ylpropoxy)phenyl]propan-1-one hydrochloride
MOLECULAR FORMULA: C16H24ClNO3
MOLECULAR WEIGHT: 313.81966
SMILES: CCC(=O)C1=CC=C(C=C1)OCCCN2CCOCC2.Cl
Structure:
CAS RN: 171204-23-2
CAS Name: N-(2,4-dimethylphenyl)-2-oxo-1H-quinoline-4-carboxamide
OPENEYE Name: N-(2,4-dimethylphenyl)-2-oxo-1H-quinoline-4-carboxamide
IUPAC Name: N-(2,4-dimethylphenyl)-2-oxo-1H-quinoline-4-carboxamide
SYSTEMATIC NAME: N-(2,4-dimethylphenyl)-2-oxidanylidene-1H-quinoline-4-carboxamide
MOLECULAR FORMULA: C18H16N2O2
MOLECULAR WEIGHT: 292.33184
SMILES: CC1=CC(=C(C=C1)NC(=O)C2=CC(=O)NC3=CC=CC=C32)C
Structure:
CAS RN: 81865-15-8
CAS Name: N-[4-(1-piperidinylsulfonyl)phenyl]carbamic acid ethyl ester
OPENEYE Name: ethyl N-[4-(1-piperidylsulfonyl)phenyl]carbamate
IUPAC Name: ethyl N-(4-piperidin-1-ylsulfonylphenyl)carbamate
SYSTEMATIC NAME: ethyl N-(4-piperidin-1-ylsulfonylphenyl)carbamate
MOLECULAR FORMULA: C14H20N2O4S
MOLECULAR WEIGHT: 312.3846
SMILES: CCOC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2
Structure:
CAS RN: 7066-12-8
CAS Name: 1-[(6-methoxy-3-pyridinyl)sulfonyl]-4-methylpiperazine
OPENEYE Name: 1-[(6-methoxy-3-pyridyl)sulfonyl]-4-methyl-piperazine
IUPAC Name: 1-(6-methoxypyridin-3-yl)sulfonyl-4-methylpiperazine
SYSTEMATIC NAME: 1-(6-methoxypyridin-3-yl)sulfonyl-4-methyl-piperazine
MOLECULAR FORMULA: C11H17N3O3S
MOLECULAR WEIGHT: 271.33598
SMILES: CN1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)OC
Structure:
CAS RN: 93073-29-1
CAS Name: 6-phenyl-3-(2-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
OPENEYE Name: 6-phenyl-3-(2-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
IUPAC Name: 6-phenyl-3-(2-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SYSTEMATIC NAME: 6-phenyl-3-(2-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
MOLECULAR FORMULA: C17H14N4S
MOLECULAR WEIGHT: 306.38486
SMILES: C1=CC=C(C=C1)CCC2=NN=C3N2N=C(S3)C4=CC=CC=C4
Structure:
CAS RN: 85605-29-4
CAS Name: N-(2-methoxy-5-sulfamoylphenyl)acetamide
OPENEYE Name: N-(2-methoxy-5-sulfamoyl-phenyl)acetamide
IUPAC Name: N-(2-methoxy-5-sulfamoylphenyl)acetamide
SYSTEMATIC NAME: N-(2-methoxy-5-sulfamoyl-phenyl)ethanamide
MOLECULAR FORMULA: C9H12N2O4S
MOLECULAR WEIGHT: 244.26758
SMILES: CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N)OC
Structure:
CAS RN: 6406-16-2
CAS Name: 6-bromo-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid
OPENEYE Name: 6-bromo-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid
IUPAC Name: 6-bromo-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid
SYSTEMATIC NAME: 6-bromanyl-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid
MOLECULAR FORMULA: C9H7BrO4
MOLECULAR WEIGHT: 259.05348
SMILES: C1COC2=C(O1)C=C(C(=C2)Br)C(=O)O
Structure:
CAS RN: 90830-16-3
CAS Name: N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide
OPENEYE Name: N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2,2-trifluoro-acetamide
IUPAC Name: N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide
SYSTEMATIC NAME: N-[4-chloranyl-2-(trifluoromethyl)phenyl]-2,2,2-tris(fluoranyl)ethanamide
MOLECULAR FORMULA: C9H4ClF6NO
MOLECULAR WEIGHT: 291.577579
SMILES: C1=CC(=C(C=C1Cl)C(F)(F)F)NC(=O)C(F)(F)F
Structure:
CAS RN: 93073-22-4
CAS Name: 3-[(4-methoxyphenyl)methyl]-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
OPENEYE Name: 3-[(4-methoxyphenyl)methyl]-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
IUPAC Name: 3-[(4-methoxyphenyl)methyl]-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SYSTEMATIC NAME: 3-[(4-methoxyphenyl)methyl]-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
MOLECULAR FORMULA: C17H14N4OS
MOLECULAR WEIGHT: 322.38426
SMILES: COC1=CC=C(C=C1)CC2=NN=C3N2N=C(S3)C4=CC=CC=C4
Structure:
CAS RN: 68060-90-2
CAS Name: 1,1-diethyl-3-(3,4,5-trimethoxyphenyl)urea
OPENEYE Name: 1,1-diethyl-3-(3,4,5-trimethoxyphenyl)urea
IUPAC Name: 1,1-diethyl-3-(3,4,5-trimethoxyphenyl)urea
SYSTEMATIC NAME: 1,1-diethyl-3-(3,4,5-trimethoxyphenyl)urea
MOLECULAR FORMULA: C14H22N2O4
MOLECULAR WEIGHT: 282.33548
SMILES: CCN(CC)C(=O)NC1=CC(=C(C(=C1)OC)OC)OC
Structure:
CAS RN: 50877-41-3
CAS Name: 4-bromo-1-(phenylmethyl)pyrazole
OPENEYE Name: 1-benzyl-4-bromo-pyrazole
IUPAC Name: 1-benzyl-4-bromopyrazole
SYSTEMATIC NAME: 4-bromanyl-1-(phenylmethyl)pyrazole
MOLECULAR FORMULA: C10H9BrN2
MOLECULAR WEIGHT: 237.09586
SMILES: C1=CC=C(C=C1)CN2C=C(C=N2)Br
Structure:
CAS RN: 68060-89-9
CAS Name: 1,1-dimethyl-3-(3,4,5-trimethoxyphenyl)urea
OPENEYE Name: 1,1-dimethyl-3-(3,4,5-trimethoxyphenyl)urea
IUPAC Name: 1,1-dimethyl-3-(3,4,5-trimethoxyphenyl)urea
SYSTEMATIC NAME: 1,1-dimethyl-3-(3,4,5-trimethoxyphenyl)urea
MOLECULAR FORMULA: C12H18N2O4
MOLECULAR WEIGHT: 254.28232
SMILES: CN(C)C(=O)NC1=CC(=C(C(=C1)OC)OC)OC
Structure:
CAS RN: 5133-47-1
CAS Name: 2,6-bis(propan-2-ylamino)-1H-1,3,5-triazine-4-thione
OPENEYE Name: 2,6-bis(isopropylamino)-1H-1,3,5-triazine-4-thione
IUPAC Name: 2,6-bis(propan-2-ylamino)-1H-1,3,5-triazine-4-thione
SYSTEMATIC NAME: 2,6-bis(propan-2-ylamino)-1H-1,3,5-triazine-4-thione
MOLECULAR FORMULA: C9H17N5S
MOLECULAR WEIGHT: 227.32978
SMILES: CC(C)NC1=NC(=S)N=C(N1)NC(C)C
Structure:
CAS RN: 81865-16-9
CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]carbamic acid ethyl ester
OPENEYE Name: ethyl N-[4-(azepan-1-ylsulfonyl)phenyl]carbamate
IUPAC Name: ethyl N-[4-(azepan-1-ylsulfonyl)phenyl]carbamate
SYSTEMATIC NAME: ethyl N-[4-(azepan-1-ylsulfonyl)phenyl]carbamate
MOLECULAR FORMULA: C15H22N2O4S
MOLECULAR WEIGHT: 326.41118
SMILES: CCOC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2
Structure:
CAS RN: 73987-39-0
CAS Name: 2-methyl-4-oxo-1H-quinoline-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 2-methyl-4-oxo-1H-quinoline-3-carboxylate
IUPAC Name: ethyl 2-methyl-4-oxo-1H-quinoline-3-carboxylate
SYSTEMATIC NAME: ethyl 2-methyl-4-oxidanylidene-1H-quinoline-3-carboxylate
MOLECULAR FORMULA: C13H13NO3
MOLECULAR WEIGHT: 231.24722
SMILES: CCOC(=O)C1=C(NC2=CC=CC=C2C1=O)C
Structure:
CAS RN: 566154-63-0
CAS Name: 1-(3-fluorophenyl)-5-oxo-3-pyrrolidinecarboxylic acid
OPENEYE Name: 1-(3-fluorophenyl)-5-oxo-pyrrolidine-3-carboxylic acid
IUPAC Name: 1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
SYSTEMATIC NAME: 1-(3-fluorophenyl)-5-oxidanylidene-pyrrolidine-3-carboxylic acid
MOLECULAR FORMULA: C11H10FNO3
MOLECULAR WEIGHT: 223.200403
SMILES: C1C(CN(C1=O)C2=CC(=CC=C2)F)C(=O)O
Structure:
CAS RN: 5528-45-0
CAS Name: 3-[4-(4-morpholinyl)phenyl]-2-(2-naphthalenyl)-2-propenenitrile
OPENEYE Name: 3-(4-morpholinophenyl)-2-(2-naphthyl)prop-2-enenitrile
IUPAC Name: 3-(4-morpholin-4-ylphenyl)-2-naphthalen-2-ylprop-2-enenitrile
SYSTEMATIC NAME: 3-(4-morpholin-4-ylphenyl)-2-naphthalen-2-yl-prop-2-enenitrile
MOLECULAR FORMULA: C23H20N2O
MOLECULAR WEIGHT: 340.4177
SMILES: C1COCCN1C2=CC=C(C=C2)C=C(C#N)C3=CC4=CC=CC=C4C=C3
Structure:
CAS RN: 117057-51-9
CAS Name: 4-amino-N-prop-2-enylbenzenesulfonamide
OPENEYE Name: N-allyl-4-amino-benzenesulfonamide
IUPAC Name: 4-amino-N-prop-2-enylbenzenesulfonamide
SYSTEMATIC NAME: 4-azanyl-N-prop-2-enyl-benzenesulfonamide
MOLECULAR FORMULA: C9H12N2O2S
MOLECULAR WEIGHT: 212.26878
SMILES: C=CCNS(=O)(=O)C1=CC=C(C=C1)N
Structure:
CAS RN: 5512-19-6
CAS Name: 3-fluoro-4-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-oxomethyl]benzonitrile
OPENEYE Name: 3-fluoro-4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzonitrile
IUPAC Name: 3-fluoro-4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzonitrile
SYSTEMATIC NAME: 3-fluoranyl-4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbonyl-benzenecarbonitrile
MOLECULAR FORMULA: C19H14F4N4O3
MOLECULAR WEIGHT: 422.333073
SMILES: C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)C3=C(C=C(C=C3)C#N)F
Structure:
CAS RN: 7047-05-4
CAS Name: (2,3-diphenyl-6-quinoxalinyl)-(4-ethyl-1-piperazinyl)methanone
OPENEYE Name: (2,3-diphenylquinoxalin-6-yl)-(4-ethylpiperazin-1-yl)methanone
IUPAC Name: (2,3-diphenylquinoxalin-6-yl)-(4-ethylpiperazin-1-yl)methanone
SYSTEMATIC NAME: (2,3-diphenylquinoxalin-6-yl)-(4-ethylpiperazin-1-yl)methanone
MOLECULAR FORMULA: C27H26N4O
MOLECULAR WEIGHT: 422.52154
SMILES: CCN1CCN(CC1)C(=O)C2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5
Structure:
CAS RN: 5516-26-7
CAS Name: 3-chloro-4-[(4-fluorophenyl)methoxy]benzonitrile
OPENEYE Name: 3-chloro-4-[(4-fluorophenyl)methoxy]benzonitrile
IUPAC Name: 3-chloro-4-[(4-fluorophenyl)methoxy]benzonitrile
SYSTEMATIC NAME: 3-chloranyl-4-[(4-fluorophenyl)methoxy]benzenecarbonitrile
MOLECULAR FORMULA: C14H9ClFNO
MOLECULAR WEIGHT: 261.678763
SMILES: C1=CC(=CC=C1COC2=C(C=C(C=C2)C#N)Cl)F
Structure:
CAS RN: 5371-83-5
CAS Name: 4-[[2-[[5-(2-furanyl)-1,3,4-oxadiazol-2-yl]thio]-1-oxoethyl]amino]benzoic acid methyl ester
OPENEYE Name: methyl 4-[[2-[[5-(2-furyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzoate
IUPAC Name: methyl 4-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzoate
SYSTEMATIC NAME: methyl 4-[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoylamino]benzoate
MOLECULAR FORMULA: C16H13N3O5S
MOLECULAR WEIGHT: 359.35652
SMILES: COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)C3=CC=CO3
Structure:
CAS RN: 109753-62-0
CAS Name: 4-methyl-1,2-dihydroimidazo[1,2-a]benzimidazole hydrochloride
OPENEYE Name: 4-methyl-1,2-dihydroimidazo[1,2-a]benzimidazole hydrochloride
IUPAC Name: 4-methyl-1,2-dihydroimidazo[1,2-a]benzimidazole hydrochloride
SYSTEMATIC NAME: 4-methyl-1,2-dihydroimidazo[1,2-a]benzimidazole hydrochloride
MOLECULAR FORMULA: C10H12ClN3
MOLECULAR WEIGHT: 209.67538
SMILES: CN1C2=CC=CC=C2N3C1=NCC3.Cl
Structure:
CAS RN: 68029-38-9
CAS Name: 2-cyano-3-[4-(diethylamino)phenyl]-2-propenethioamide
OPENEYE Name: 2-cyano-3-[4-(diethylamino)phenyl]prop-2-enethioamide
IUPAC Name: 2-cyano-3-[4-(diethylamino)phenyl]prop-2-enethioamide
SYSTEMATIC NAME: 2-cyano-3-[4-(diethylamino)phenyl]prop-2-enethioamide
MOLECULAR FORMULA: C14H17N3S
MOLECULAR WEIGHT: 259.36988
SMILES: CCN(CC)C1=CC=C(C=C1)C=C(C#N)C(=S)N
Structure:
CAS RN: 102689-15-6
CAS Name: 2-(2,2-dimethyl-4-oxanyl)-5-phenyl-4H-pyrazol-3-one
OPENEYE Name: 2-(2,2-dimethyltetrahydropyran-4-yl)-5-phenyl-4H-pyrazol-3-one
IUPAC Name: 2-(2,2-dimethyloxan-4-yl)-5-phenyl-4H-pyrazol-3-one
SYSTEMATIC NAME: 2-(2,2-dimethyloxan-4-yl)-5-phenyl-4H-pyrazol-3-one
MOLECULAR FORMULA: C16H20N2O2
MOLECULAR WEIGHT: 272.3422
SMILES: CC1(CC(CCO1)N2C(=O)CC(=N2)C3=CC=CC=C3)C
Structure:
CAS RN: 5477-45-2
CAS Name: 2-[N-(benzenesulfonyl)-4-phenoxyanilino]-N-(2,6-difluorophenyl)acetamide
OPENEYE Name: 2-[N-(benzenesulfonyl)-4-phenoxy-anilino]-N-(2,6-difluorophenyl)acetamide
IUPAC Name: 2-[N-(benzenesulfonyl)-4-phenoxyanilino]-N-(2,6-difluorophenyl)acetamide
SYSTEMATIC NAME: N-[2,6-bis(fluoranyl)phenyl]-2-[(4-phenoxyphenyl)-(phenylsulfonyl)amino]ethanamide
MOLECULAR FORMULA: C26H20F2N2O4S
MOLECULAR WEIGHT: 494.509806
SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)N(CC(=O)NC3=C(C=CC=C3F)F)S(=O)(=O)C4=CC=CC=C4
Structure:
CAS RN: 5479-53-8
CAS Name: 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(3-pyridinyl)propanamide
OPENEYE Name: 2-(3,5-dimethyl-N-methylsulfonyl-anilino)-N-(3-pyridyl)propanamide
IUPAC Name: 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-pyridin-3-ylpropanamide
SYSTEMATIC NAME: 2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]-N-pyridin-3-yl-propanamide
MOLECULAR FORMULA: C17H21N3O3S
MOLECULAR WEIGHT: 347.43194
SMILES: CC1=CC(=CC(=C1)N(C(C)C(=O)NC2=CN=CC=C2)S(=O)(=O)C)C
Structure:
CAS RN: 588681-48-5
CAS Name: 3-methoxy-2-[(2-methylphenyl)methoxy]benzaldehyde
OPENEYE Name: 3-methoxy-2-(o-tolylmethoxy)benzaldehyde
IUPAC Name: 3-methoxy-2-[(2-methylphenyl)methoxy]benzaldehyde
SYSTEMATIC NAME: 3-methoxy-2-[(2-methylphenyl)methoxy]benzaldehyde
MOLECULAR FORMULA: C16H16O3
MOLECULAR WEIGHT: 256.29644
SMILES: CC1=CC=CC=C1COC2=C(C=CC=C2OC)C=O
Structure:
CAS RN: 285984-25-0
CAS Name: 5-tert-butyl-2-(4-methylphenyl)-3-pyrazolamine
OPENEYE Name: 5-tert-butyl-2-(p-tolyl)pyrazol-3-amine
IUPAC Name: 5-tert-butyl-2-(4-methylphenyl)pyrazol-3-amine
SYSTEMATIC NAME: 5-tert-butyl-2-(4-methylphenyl)pyrazol-3-amine
MOLECULAR FORMULA: C14H19N3
MOLECULAR WEIGHT: 229.32076
SMILES: CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)N
Structure:
CAS RN: 4880-34-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H27N3O3S
MOLECULAR WEIGHT: 413.53308
SMILES: CCCC1=NC2=C(C(=O)N1CC3CCCO3)SC4=NC5=C(COC(C5)(C)C)C=C24
Structure:
CAS RN: 618098-26-3
CAS Name: 2-(3-chlorophenyl)-5-phenyl-3-pyrazolamine
OPENEYE Name: 2-(3-chlorophenyl)-5-phenyl-pyrazol-3-amine
IUPAC Name: 2-(3-chlorophenyl)-5-phenylpyrazol-3-amine
SYSTEMATIC NAME: 2-(3-chlorophenyl)-5-phenyl-pyrazol-3-amine
MOLECULAR FORMULA: C15H12ClN3
MOLECULAR WEIGHT: 269.72888
SMILES: C1=CC=C(C=C1)C2=NN(C(=C2)N)C3=CC(=CC=C3)Cl
Structure:
CAS RN: 5382-69-4
CAS Name: N-[[2-methyl-5-(2-oxazolo[4,5-b]pyridinyl)anilino]-sulfanylidenemethyl]-5-(3-nitrophenyl)-2-furancarboxamide
OPENEYE Name: N-[(2-methyl-5-oxazolo[4,5-b]pyridin-2-yl-phenyl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide
IUPAC Name: N-[[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide
SYSTEMATIC NAME: N-[[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide
MOLECULAR FORMULA: C25H17N5O5S
MOLECULAR WEIGHT: 499.49798
SMILES: CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC=N3)NC(=S)NC(=O)C4=CC=C(O4)C5=CC(=CC=C5)[N+](=O)[O-]
Structure:
CAS RN: 5469-34-1
CAS Name: N-(2,6-dimethylphenyl)-4-[3-(3-thietanyloxy)phenyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
OPENEYE Name: N-(2,6-dimethylphenyl)-4-[3-(thietan-3-yloxy)phenyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
IUPAC Name: N-(2,6-dimethylphenyl)-4-[3-(thietan-3-yloxy)phenyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
SYSTEMATIC NAME: N-(2,6-dimethylphenyl)-4-[3-(thietan-3-yloxy)phenyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
MOLECULAR FORMULA: C29H30N2O3S2
MOLECULAR WEIGHT: 518.6901
SMILES: CC1=C(C(=CC=C1)C)NS(=O)(=O)C2=CC3=C(C=C2)NC(C4C3C=CC4)C5=CC(=CC=C5)OC6CSC6
Structure:
CAS RN: 436095-31-7
CAS Name: (4-aminophenyl)-(2-methyl-1-piperidinyl)methanone
OPENEYE Name: (4-aminophenyl)-(2-methyl-1-piperidyl)methanone
IUPAC Name: (4-aminophenyl)-(2-methylpiperidin-1-yl)methanone
SYSTEMATIC NAME: (4-aminophenyl)-(2-methylpiperidin-1-yl)methanone
MOLECULAR FORMULA: C13H18N2O
MOLECULAR WEIGHT: 218.29482
SMILES: CC1CCCCN1C(=O)C2=CC=C(C=C2)N
Structure:
CAS RN: 5340-97-6
CAS Name: 2-[[3-[(2-fluorophenyl)-oxomethyl]-1-indolyl]methyl]benzonitrile
OPENEYE Name: 2-[[3-(2-fluorobenzoyl)indol-1-yl]methyl]benzonitrile
IUPAC Name: 2-[[3-(2-fluorobenzoyl)indol-1-yl]methyl]benzonitrile
SYSTEMATIC NAME: 2-[[3-(2-fluorophenyl)carbonylindol-1-yl]methyl]benzenecarbonitrile
MOLECULAR FORMULA: C23H15FN2O
MOLECULAR WEIGHT: 354.376403
SMILES: C1=CC=C(C(=C1)CN2C=C(C3=CC=CC=C32)C(=O)C4=CC=CC=C4F)C#N
Structure:
CAS RN: 590350-87-1
CAS Name: 3-[(2-methylphenyl)methoxy]benzaldehyde
OPENEYE Name: 3-(o-tolylmethoxy)benzaldehyde
IUPAC Name: 3-[(2-methylphenyl)methoxy]benzaldehyde
SYSTEMATIC NAME: 3-[(2-methylphenyl)methoxy]benzaldehyde
MOLECULAR FORMULA: C15H14O2
MOLECULAR WEIGHT: 226.27046
SMILES: CC1=CC=CC=C1COC2=CC=CC(=C2)C=O
Structure:
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