CAS RN: 5918-65-0
CAS Name: 2-[[(2,4-dimethylanilino)-oxomethyl]-(2-methylpropyl)amino]-N-[(5-methyl-2-thiophenyl)methyl]-N-(phenylmethyl)acetamide
OPENEYE Name: N-benzyl-2-[(2,4-dimethylphenyl)carbamoyl-isobutyl-amino]-N-[(5-methyl-2-thienyl)methyl]acetamide
IUPAC Name: N-benzyl-2-[(2,4-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]-N-[(5-methylthiophen-2-yl)methyl]acetamide
SYSTEMATIC NAME: 2-[(2,4-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]-N-[(5-methylthiophen-2-yl)methyl]-N-(phenylmethyl)ethanamide
MOLECULAR FORMULA: C28H35N3O2S
MOLECULAR WEIGHT: 477.6614
SMILES: CC1=CC(=C(C=C1)NC(=O)N(CC(C)C)CC(=O)N(CC2=CC=CC=C2)CC3=CC=C(S3)C)C
Structure:
CAS RN: 6067-90-9
CAS Name: 6-(5-bromo-2-hydroxyphenyl)-8-(3-chlorophenyl)-2-[4-(dimethylamino)-3,5-dinitrophenyl]-6a-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
OPENEYE Name: 6-(5-bromo-2-hydroxy-phenyl)-8-(3-chlorophenyl)-2-[4-(dimethylamino)-3,5-dinitro-phenyl]-6a-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
IUPAC Name: 6-(5-bromo-2-hydroxyphenyl)-8-(3-chlorophenyl)-2-[4-(dimethylamino)-3,5-dinitrophenyl]-6a-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
SYSTEMATIC NAME: 6-(5-bromanyl-2-oxidanyl-phenyl)-8-(3-chlorophenyl)-2-[4-(dimethylamino)-3,5-dinitro-phenyl]-6a-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
MOLECULAR FORMULA: C40H31BrClN5O9
MOLECULAR WEIGHT: 841.05924
SMILES: CN(C)C1=C(C=C(C=C1[N+](=O)[O-])N2C(=O)C3CC=C4C(C3C2=O)CC5C(=O)N(C(=O)C5(C4C6=C(C=CC(=C6)Br)O)C7=CC=CC=C7)C8=CC(=CC=C8)Cl)[N+](=O)[O-]
Structure:
CAS RN: 69922-28-7
CAS Name: 5-isocyanato-1,3-benzodioxole
OPENEYE Name: 5-isocyanato-1,3-benzodioxole
IUPAC Name: 5-isocyanato-1,3-benzodioxole
SYSTEMATIC NAME: 5-isocyanato-1,3-benzodioxole
MOLECULAR FORMULA: C8H5NO3
MOLECULAR WEIGHT: 163.1302
SMILES: C1OC2=C(O1)C=C(C=C2)N=C=O
Structure:
CAS RN: 6238-07-9
CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-3-(4-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one
OPENEYE Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-3-(4-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one
IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(4-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one
SYSTEMATIC NAME: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3-(4-methoxyphenyl)-5H-pyrimido[5,4-b]indol-4-one
MOLECULAR FORMULA: C24H17ClFN3O2S
MOLECULAR WEIGHT: 465.927083
SMILES: COC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC5=C(C=CC=C5Cl)F
Structure:
CAS RN: 6235-62-7
CAS Name: 2-fluorobenzoic acid [2-tert-butyl-5-methyl-4-[(2,3,4,5,6-pentafluorophenyl)thio]-3-pyrazolyl] ester
OPENEYE Name: [2-tert-butyl-5-methyl-4-(2,3,4,5,6-pentafluorophenyl)sulfanyl-pyrazol-3-yl] 2-fluorobenzoate
IUPAC Name: [2-tert-butyl-5-methyl-4-(2,3,4,5,6-pentafluorophenyl)sulfanylpyrazol-3-yl] 2-fluorobenzoate
SYSTEMATIC NAME: [2-tert-butyl-5-methyl-4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]sulfanyl-pyrazol-3-yl] 2-fluoranylbenzoate
MOLECULAR FORMULA: C21H16F6N2O2S
MOLECULAR WEIGHT: 474.419359
SMILES: CC1=NN(C(=C1SC2=C(C(=C(C(=C2F)F)F)F)F)OC(=O)C3=CC=CC=C3F)C(C)(C)C
Structure:
CAS RN: 5630-47-7
CAS Name: N-[(4-tert-butylphenyl)methylideneamino]-2,4-dinitroaniline
OPENEYE Name: N-[(4-tert-butylphenyl)methyleneamino]-2,4-dinitro-aniline
IUPAC Name: N-[(4-tert-butylphenyl)methylideneamino]-2,4-dinitroaniline
SYSTEMATIC NAME: N-[(4-tert-butylphenyl)methylideneamino]-2,4-dinitro-aniline
MOLECULAR FORMULA: C17H18N4O4
MOLECULAR WEIGHT: 342.34922
SMILES: CC(C)(C)C1=CC=C(C=C1)C=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 5322-29-2
CAS Name: 2-(2,4-dichlorophenoxy)-N-[(3-fluoroanilino)-sulfanylidenemethyl]propanamide
OPENEYE Name: 2-(2,4-dichlorophenoxy)-N-[(3-fluorophenyl)carbamothioyl]propanamide
IUPAC Name: 2-(2,4-dichlorophenoxy)-N-[(3-fluorophenyl)carbamothioyl]propanamide
SYSTEMATIC NAME: 2-[2,4-bis(chloranyl)phenoxy]-N-[(3-fluorophenyl)carbamothioyl]propanamide
MOLECULAR FORMULA: C16H13Cl2FN2O2S
MOLECULAR WEIGHT: 387.256023
SMILES: CC(C(=O)NC(=S)NC1=CC(=CC=C1)F)OC2=C(C=C(C=C2)Cl)Cl
Structure:
CAS RN: 5489-12-3
CAS Name: 5-[[4-[[1-(2-ethoxy-2-oxoethyl)-2-methyl-3-indolyl]methylidene]-2,5-dioxo-1-imidazolidinyl]methyl]-2-furancarboxylic acid methyl ester
OPENEYE Name: methyl 5-[[4-[[1-(2-ethoxy-2-oxo-ethyl)-2-methyl-indol-3-yl]methylene]-2,5-dioxo-imidazolidin-1-yl]methyl]furan-2-carboxylate
IUPAC Name: methyl 5-[[4-[[1-(2-ethoxy-2-oxoethyl)-2-methylindol-3-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
SYSTEMATIC NAME: methyl 5-[[4-[[1-(2-ethoxy-2-oxidanylidene-ethyl)-2-methyl-indol-3-yl]methylidene]-2,5-bis(oxidanylidene)imidazolidin-1-yl]methyl]furan-2-carboxylate
MOLECULAR FORMULA: C24H23N3O7
MOLECULAR WEIGHT: 465.45532
SMILES: CCOC(=O)CN1C(=C(C2=CC=CC=C21)C=C3C(=O)N(C(=O)N3)CC4=CC=C(O4)C(=O)OC)C
Structure:
CAS RN: 5567-55-5
CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [1-(4-methylphenyl)-1-oxopropan-2-yl] ester
OPENEYE Name: [1-methyl-2-oxo-2-(p-tolyl)ethyl] 3-chlorobenzothiophene-2-carboxylate
IUPAC Name: [1-(4-methylphenyl)-1-oxopropan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate
SYSTEMATIC NAME: [1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 3-chloranyl-1-benzothiophene-2-carboxylate
MOLECULAR FORMULA: C19H15ClO3S
MOLECULAR WEIGHT: 358.8386
SMILES: CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=C(C3=CC=CC=C3S2)Cl
Structure:
CAS RN: 5916-19-8
CAS Name: N-(2-methoxyethyl)-N-[2-[(5-methyl-2-thiophenyl)methyl-(phenylmethyl)amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
OPENEYE Name: N-[2-[benzyl-[(5-methyl-2-thienyl)methyl]amino]-2-oxo-ethyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
IUPAC Name: N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
SYSTEMATIC NAME: N-(2-methoxyethyl)-N-[2-[(5-methylthiophen-2-yl)methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-3-(trifluoromethyl)benzamide
MOLECULAR FORMULA: C26H27F3N2O3S
MOLECULAR WEIGHT: 504.56439
SMILES: CC1=CC=C(S1)CN(CC2=CC=CC=C2)C(=O)CN(CCOC)C(=O)C3=CC(=CC=C3)C(F)(F)F
Structure:
CAS RN: 62774-39-4
CAS Name: 8-azido-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin
OPENEYE Name: 8-azido-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
IUPAC Name: 8-azido-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
SYSTEMATIC NAME: 8-azido-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
MOLECULAR FORMULA: C14H17N3O4
MOLECULAR WEIGHT: 291.30248
SMILES: COC1CC(C2C(O1)COC(O2)C3=CC=CC=C3)N=[N+]=[N-]
Structure:
CAS RN: 6386-19-2
CAS Name: 8-azido-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin
OPENEYE Name: 8-azido-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
IUPAC Name: 8-azido-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
SYSTEMATIC NAME: 8-azido-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
MOLECULAR FORMULA: C14H17N3O4
MOLECULAR WEIGHT: 291.30248
SMILES: COC1CC(C2C(O1)COC(O2)C3=CC=CC=C3)N=[N+]=[N-]
Structure:
CAS RN: 6057-95-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C33H24BrN3O6
MOLECULAR WEIGHT: 638.46416
SMILES: C1C=C2C(CC3=C(C2C4=C(C=C(C=C4)OCC5=CC=CC=C5)O)C(=O)C=C(C3=O)Br)N6N1C(=O)N(C6=O)C7=CC=CC=C7
Structure:
CAS RN: 6055-49-8
CAS Name: 6-(6-hydroxy-4H-1-benzopyran-3-yl)-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
OPENEYE Name: 6-(6-hydroxy-4H-chromen-3-yl)-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
IUPAC Name: 6-(6-hydroxy-4H-chromen-3-yl)-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
SYSTEMATIC NAME: 6-(6-oxidanyl-4H-chromen-3-yl)-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
MOLECULAR FORMULA: C23H20N2O6
MOLECULAR WEIGHT: 420.4147
SMILES: C1C=C2C(CC3C(C2C4=COC5=C(C4)C=C(C=C5)O)C(=O)NC3=O)C6C1C(=O)NC6=O
Structure:
CAS RN: 6052-43-3
CAS Name: 2-[3-tert-butyl-5,13-dioxo-12-(phenylmethyl)-1-oxa-4-azacyclotridec-8-en-6-yl]-N-(1-hydroxy-3-phenylpropan-2-yl)acetamide
OPENEYE Name: 2-(12-benzyl-3-tert-butyl-5,13-dioxo-1-oxa-4-azacyclotridec-8-en-6-yl)-N-(1-benzyl-2-hydroxy-ethyl)acetamide
IUPAC Name: 2-(12-benzyl-3-tert-butyl-5,13-dioxo-1-oxa-4-azacyclotridec-8-en-6-yl)-N-(1-hydroxy-3-phenylpropan-2-yl)acetamide
SYSTEMATIC NAME: 2-[3-tert-butyl-5,13-bis(oxidanylidene)-12-(phenylmethyl)-1-oxa-4-azacyclotridec-8-en-6-yl]-N-(1-oxidanyl-3-phenyl-propan-2-yl)ethanamide
MOLECULAR FORMULA: C33H44N2O5
MOLECULAR WEIGHT: 548.71286
SMILES: CC(C)(C)C1COC(=O)C(CCC=CCC(C(=O)N1)CC(=O)NC(CC2=CC=CC=C2)CO)CC3=CC=CC=C3
Structure:
CAS RN: 5498-89-5
CAS Name: 2-benzoyl-3-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]-2-propenenitrile
OPENEYE Name: 2-benzoyl-3-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxy-phenyl]prop-2-enenitrile
IUPAC Name: 2-benzoyl-3-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]prop-2-enenitrile
SYSTEMATIC NAME: 3-[3-bromanyl-4-[(4-chlorophenyl)methoxy]-5-methoxy-phenyl]-2-(phenylcarbonyl)prop-2-enenitrile
MOLECULAR FORMULA: C24H17BrClNO3
MOLECULAR WEIGHT: 482.75368
SMILES: COC1=C(C(=CC(=C1)C=C(C#N)C(=O)C2=CC=CC=C2)Br)OCC3=CC=C(C=C3)Cl
Structure:
CAS RN: 5491-82-7
CAS Name: N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxy-3-methylbenzamide
OPENEYE Name: N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxy-3-methyl-benzamide
IUPAC Name: N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxy-3-methylbenzamide
SYSTEMATIC NAME: N-[4-chloranyl-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxy-3-methyl-benzamide
MOLECULAR FORMULA: C24H21ClN2O3
MOLECULAR WEIGHT: 420.88814
SMILES: CC1=CC=CC(=C1OC)C(=O)NC2=CC(=C(C=C2)Cl)C3=NC4=CC(=CC(=C4O3)C)C
Structure:
CAS RN: 5491-21-4
CAS Name: 2-chloro-N-[2-[1-[(2-fluorophenyl)methyl]-2-benzimidazolyl]-5-methyl-3-pyrazolyl]benzamide
OPENEYE Name: 2-chloro-N-[2-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-5-methyl-pyrazol-3-yl]benzamide
IUPAC Name: 2-chloro-N-[2-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]benzamide
SYSTEMATIC NAME: 2-chloranyl-N-[2-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-5-methyl-pyrazol-3-yl]benzamide
MOLECULAR FORMULA: C25H19ClFN5O
MOLECULAR WEIGHT: 459.902663
SMILES: CC1=NN(C(=C1)NC(=O)C2=CC=CC=C2Cl)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5F
Structure:
CAS RN: 6235-01-4
CAS Name: 2-(4-chlorophenoxy)-2-methylpropanoic acid [4-[(4-chlorophenyl)thio]-5-methyl-2-phenyl-3-pyrazolyl] ester
OPENEYE Name: [4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenyl-pyrazol-3-yl] 2-(4-chlorophenoxy)-2-methyl-propanoate
IUPAC Name: [4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenylpyrazol-3-yl] 2-(4-chlorophenoxy)-2-methylpropanoate
SYSTEMATIC NAME: [4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenyl-pyrazol-3-yl] 2-(4-chloranylphenoxy)-2-methyl-propanoate
MOLECULAR FORMULA: C26H22Cl2N2O3S
MOLECULAR WEIGHT: 513.43548
SMILES: CC1=NN(C(=C1SC2=CC=C(C=C2)Cl)OC(=O)C(C)(C)OC3=CC=C(C=C3)Cl)C4=CC=CC=C4
Structure:
CAS RN: 6618-79-7
CAS Name: 2-aminobenzoic acid [2-oxo-2-(2-thiazolylamino)ethyl] ester
OPENEYE Name: [2-oxo-2-(thiazol-2-ylamino)ethyl] 2-aminobenzoate
IUPAC Name: [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-aminobenzoate
SYSTEMATIC NAME: [2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl] 2-azanylbenzoate
MOLECULAR FORMULA: C12H11N3O3S
MOLECULAR WEIGHT: 277.29904
SMILES: C1=CC=C(C(=C1)C(=O)OCC(=O)NC2=NC=CS2)N
Structure:
CAS RN: 6618-18-4
CAS Name: 3-(3-chlorophenyl)-5-[[4-[(4-methylphenyl)thio]-3-nitrophenyl]methylidene]thiazolidine-2,4-dione
OPENEYE Name: 3-(3-chlorophenyl)-5-[[3-nitro-4-(p-tolylsulfanyl)phenyl]methylene]thiazolidine-2,4-dione
IUPAC Name: 3-(3-chlorophenyl)-5-[[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]methylidene]-1,3-thiazolidine-2,4-dione
SYSTEMATIC NAME: 3-(3-chlorophenyl)-5-[[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]methylidene]-1,3-thiazolidine-2,4-dione
MOLECULAR FORMULA: C23H15ClN2O4S2
MOLECULAR WEIGHT: 482.9592
SMILES: CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C=C3C(=O)N(C(=O)S3)C4=CC(=CC=C4)Cl)[N+](=O)[O-]
Structure:
CAS RN: 6615-73-2
CAS Name: 4-[(4-butoxyphenyl)-hydroxymethylidene]-5-(2-fluorophenyl)-1-[5-[(4-methylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione
OPENEYE Name: 4-[(4-butoxyphenyl)-hydroxy-methylene]-5-(2-fluorophenyl)-1-[5-(p-tolylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione
IUPAC Name: 4-[(4-butoxyphenyl)-hydroxymethylidene]-5-(2-fluorophenyl)-1-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione
SYSTEMATIC NAME: 4-[(4-butoxyphenyl)-oxidanyl-methylidene]-5-(2-fluorophenyl)-1-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione
MOLECULAR FORMULA: C31H28FN3O4S2
MOLECULAR WEIGHT: 589.700123
SMILES: CCCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=NN=C(S3)SCC4=CC=C(C=C4)C)C5=CC=CC=C5F)O
Structure:
CAS RN: 5818-09-7
CAS Name: 4-[[4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy]methyl]benzoic acid
OPENEYE Name: 4-[[4-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]phenoxy]methyl]benzoic acid
IUPAC Name: 4-[[4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy]methyl]benzoic acid
SYSTEMATIC NAME: 4-[[4-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoic acid
MOLECULAR FORMULA: C19H14N2O5S
MOLECULAR WEIGHT: 382.38986
SMILES: C1=CC(=CC=C1COC2=CC=C(C=C2)C=C3C(=O)NC(=S)NC3=O)C(=O)O
Structure:
CAS RN: 5533-64-2
CAS Name: 3-[2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]phenyl]-3-oxo-2-(2-pyridinyl)propanenitrile
OPENEYE Name: 3-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylphenyl]-3-oxo-2-(2-pyridyl)propanenitrile
IUPAC Name: 3-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylphenyl]-3-oxo-2-pyridin-2-ylpropanenitrile
SYSTEMATIC NAME: 3-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylphenyl]-3-oxidanylidene-2-pyridin-2-yl-propanenitrile
MOLECULAR FORMULA: C21H12F3N3O3S
MOLECULAR WEIGHT: 443.39849
SMILES: C1=CC=C(C(=C1)C(=O)C(C#N)C2=CC=CC=N2)SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]
Structure:
CAS RN: 6484-76-0
CAS Name: N-cyclohexyl-2-methyl-6-(3-pyridinyl)-4-pyrimidinamine
OPENEYE Name: N-cyclohexyl-2-methyl-6-(3-pyridyl)pyrimidin-4-amine
IUPAC Name: N-cyclohexyl-2-methyl-6-pyridin-3-ylpyrimidin-4-amine
SYSTEMATIC NAME: N-cyclohexyl-2-methyl-6-pyridin-3-yl-pyrimidin-4-amine
MOLECULAR FORMULA: C16H20N4
MOLECULAR WEIGHT: 268.3568
SMILES: CC1=NC(=CC(=N1)NC2CCCCC2)C3=CN=CC=C3
Structure:
CAS RN: 5599-19-9
CAS Name: 1-(6-bromo-2-methyl-4-phenyl-3-quinolinyl)-3-(7-quinolinyl)-2-propen-1-one
OPENEYE Name: 1-(6-bromo-2-methyl-4-phenyl-3-quinolyl)-3-(7-quinolyl)prop-2-en-1-one
IUPAC Name: 1-(6-bromo-2-methyl-4-phenylquinolin-3-yl)-3-quinolin-7-ylprop-2-en-1-one
SYSTEMATIC NAME: 1-(6-bromanyl-2-methyl-4-phenyl-quinolin-3-yl)-3-quinolin-7-yl-prop-2-en-1-one
MOLECULAR FORMULA: C28H19BrN2O
MOLECULAR WEIGHT: 479.36726
SMILES: CC1=C(C(=C2C=C(C=CC2=N1)Br)C3=CC=CC=C3)C(=O)C=CC4=CC5=C(C=CC=N5)C=C4
Structure:
CAS RN: 6525-49-1
CAS Name: 4-methyl-N-(prop-2-enylideneamino)benzenesulfonamide
OPENEYE Name: N-(allylideneamino)-4-methyl-benzenesulfonamide
IUPAC Name: 4-methyl-N-(prop-2-enylideneamino)benzenesulfonamide
SYSTEMATIC NAME: 4-methyl-N-(prop-2-enylideneamino)benzenesulfonamide
MOLECULAR FORMULA: C10H12N2O2S
MOLECULAR WEIGHT: 224.27948
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NN=CC=C
Structure:
CAS RN: 5963-25-7
CAS Name: 4-fluorobenzenesulfonic acid [4-[[[[2,6-di(propan-2-yl)anilino]-oxomethyl]-(2-furanylmethyl)amino]methyl]phenyl] ester
OPENEYE Name: [4-[[(2,6-diisopropylphenyl)carbamoyl-(2-furylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate
IUPAC Name: [4-[[[2,6-di(propan-2-yl)phenyl]carbamoyl-(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate
SYSTEMATIC NAME: [4-[[[2,6-di(propan-2-yl)phenyl]carbamoyl-(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate
MOLECULAR FORMULA: C31H33FN2O5S
MOLECULAR WEIGHT: 564.667523
SMILES: CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)N(CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)F)CC4=CC=CO4
Structure:
CAS RN: 5963-24-6
CAS Name: 4-fluorobenzenesulfonic acid [4-[[[(3,5-dimethoxyanilino)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester
OPENEYE Name: [4-[[(3,5-dimethoxyphenyl)carbamoyl-isopropyl-amino]methyl]phenyl] 4-fluorobenzenesulfonate
IUPAC Name: [4-[[(3,5-dimethoxyphenyl)carbamoyl-propan-2-ylamino]methyl]phenyl] 4-fluorobenzenesulfonate
SYSTEMATIC NAME: [4-[[(3,5-dimethoxyphenyl)carbamoyl-propan-2-yl-amino]methyl]phenyl] 4-fluoranylbenzenesulfonate
MOLECULAR FORMULA: C25H27FN2O6S
MOLECULAR WEIGHT: 502.555083
SMILES: CC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3=CC(=CC(=C3)OC)OC
Structure:
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