CAS RN: 6358-86-7
CAS Name: N-(4-chlorophenyl)-2-(5-methyl-2-thiophenyl)-4-quinolinecarboxamide
OPENEYE Name: N-(4-chlorophenyl)-2-(5-methyl-2-thienyl)quinoline-4-carboxamide
IUPAC Name: N-(4-chlorophenyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
SYSTEMATIC NAME: N-(4-chlorophenyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
MOLECULAR FORMULA: C21H15ClN2OS
MOLECULAR WEIGHT: 378.8746
SMILES: CC1=CC=C(S1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=C(C=C4)Cl
Structure:
CAS RN: 6358-25-4
CAS Name: N-(1-adamantyl)-2-methyl-3-furancarboxamide
OPENEYE Name: N-(1-adamantyl)-2-methyl-furan-3-carboxamide
IUPAC Name: N-(1-adamantyl)-2-methylfuran-3-carboxamide
SYSTEMATIC NAME: N-(1-adamantyl)-2-methyl-furan-3-carboxamide
MOLECULAR FORMULA: C16H21NO2
MOLECULAR WEIGHT: 259.34344
SMILES: CC1=C(C=CO1)C(=O)NC23CC4CC(C2)CC(C4)C3
Structure:
CAS RN: 6184-39-0
CAS Name: N-[[5-[[2-[5-(4-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]-4-(phenylmethyl)-1,2,4-triazol-3-yl]methyl]-2-thiophenecarboxamide
OPENEYE Name: N-[[4-benzyl-5-[2-[5-(4-methoxyphenyl)-3-(p-tolyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide
IUPAC Name: N-[[4-benzyl-5-[2-[5-(4-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide
SYSTEMATIC NAME: N-[[5-[2-[5-(4-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide
MOLECULAR FORMULA: C34H32N6O3S2
MOLECULAR WEIGHT: 636.78628
SMILES: CC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NN=C(N3CC4=CC=CC=C4)CNC(=O)C5=CC=CS5)C6=CC=C(C=C6)OC
Structure:
CAS RN: 6175-19-5
CAS Name: 3-(2-ethoxyphenyl)-1-(2-oxolanylmethyl)-1-(3-pyridinylmethyl)thiourea
OPENEYE Name: 3-(2-ethoxyphenyl)-1-(3-pyridylmethyl)-1-(tetrahydrofuran-2-ylmethyl)thiourea
IUPAC Name: 3-(2-ethoxyphenyl)-1-(oxolan-2-ylmethyl)-1-(pyridin-3-ylmethyl)thiourea
SYSTEMATIC NAME: 3-(2-ethoxyphenyl)-1-(oxolan-2-ylmethyl)-1-(pyridin-3-ylmethyl)thiourea
MOLECULAR FORMULA: C20H25N3O2S
MOLECULAR WEIGHT: 371.4964
SMILES: CCOC1=CC=CC=C1NC(=S)N(CC2CCCO2)CC3=CN=CC=C3
Structure:
CAS RN: 6725-25-3
CAS Name: [anilino-(4-methoxyphenyl)methylidene]-carbamothioylammonium
OPENEYE Name: [anilino-(4-methoxyphenyl)methylene]-carbamothioyl-ammonium
IUPAC Name: [anilino-(4-methoxyphenyl)methylidene]-carbamothioylazanium
SYSTEMATIC NAME: carbamothioyl-[(4-methoxyphenyl)-phenylazanyl-methylidene]azanium
MOLECULAR FORMULA: C15H16N3OS+
MOLECULAR WEIGHT: 286.37204
SMILES: COC1=CC=C(C=C1)C(=[NH+]C(=S)N)NC2=CC=CC=C2
Structure:
CAS RN: 5632-31-5
CAS Name: N-(2,4-dimethylphenyl)-5-nitro-2-[2-[(4-nitrophenyl)methylidene]hydrazinyl]benzenesulfonamide
OPENEYE Name: N-(2,4-dimethylphenyl)-5-nitro-2-[2-[(4-nitrophenyl)methylene]hydrazino]benzenesulfonamide
IUPAC Name: N-(2,4-dimethylphenyl)-5-nitro-2-[2-[(4-nitrophenyl)methylidene]hydrazinyl]benzenesulfonamide
SYSTEMATIC NAME: N-(2,4-dimethylphenyl)-5-nitro-2-[2-[(4-nitrophenyl)methylidene]hydrazinyl]benzenesulfonamide
MOLECULAR FORMULA: C21H19N5O6S
MOLECULAR WEIGHT: 469.47046
SMILES: CC1=CC(=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NN=CC3=CC=C(C=C3)[N+](=O)[O-])C
Structure:
CAS RN: 5628-63-7
CAS Name: 5-(4-methoxyphenyl)-2-[2-(4-morpholinyl)ethyl]-1,1,3,3-tetraoxo-1,3-dithiane-4,6-dicarboxylic acid dimethyl ester
OPENEYE Name: dimethyl 5-(4-methoxyphenyl)-2-(2-morpholinoethyl)-1,1,3,3-tetraoxo-1,3-dithiane-4,6-dicarboxylate
IUPAC Name: dimethyl 5-(4-methoxyphenyl)-2-(2-morpholin-4-ylethyl)-1,1,3,3-tetraoxo-1,3-dithiane-4,6-dicarboxylate
SYSTEMATIC NAME: dimethyl 5-(4-methoxyphenyl)-2-(2-morpholin-4-ylethyl)-1,1,3,3-tetrakis(oxidanylidene)-1,3-dithiane-4,6-dicarboxylate
MOLECULAR FORMULA: C21H29NO10S2
MOLECULAR WEIGHT: 519.58566
SMILES: COC1=CC=C(C=C1)C2C(S(=O)(=O)C(S(=O)(=O)C2C(=O)OC)CCN3CCOCC3)C(=O)OC
Structure:
CAS RN: 5628-02-4
CAS Name: 5-anilino-2-(anilinomethyl)-4-oxazolecarbonitrile
OPENEYE Name: 5-anilino-2-(anilinomethyl)oxazole-4-carbonitrile
IUPAC Name: 5-anilino-2-(anilinomethyl)-1,3-oxazole-4-carbonitrile
SYSTEMATIC NAME: 5-phenylazanyl-2-(phenylazanylmethyl)-1,3-oxazole-4-carbonitrile
MOLECULAR FORMULA: C17H14N4O
MOLECULAR WEIGHT: 290.31926
SMILES: C1=CC=C(C=C1)NCC2=NC(=C(O2)NC3=CC=CC=C3)C#N
Structure:
CAS RN: 6610-67-9
CAS Name: 3-[[4-(4-tert-butylphenoxy)-3-nitrophenyl]methylidene]-5-chloro-1H-indol-2-one
OPENEYE Name: 3-[[4-(4-tert-butylphenoxy)-3-nitro-phenyl]methylene]-5-chloro-indolin-2-one
IUPAC Name: 3-[[4-(4-tert-butylphenoxy)-3-nitrophenyl]methylidene]-5-chloro-1H-indol-2-one
SYSTEMATIC NAME: 3-[[4-(4-tert-butylphenoxy)-3-nitro-phenyl]methylidene]-5-chloranyl-1H-indol-2-one
MOLECULAR FORMULA: C25H21ClN2O4
MOLECULAR WEIGHT: 448.89824
SMILES: CC(C)(C)C1=CC=C(C=C1)OC2=C(C=C(C=C2)C=C3C4=C(C=CC(=C4)Cl)NC3=O)[N+](=O)[O-]
Structure:
CAS RN: 6610-06-6
CAS Name: 4-(2-fluorophenyl)-N-(4-fluorophenyl)-3-(2-oxolanylmethyl)-2-thiazolimine
OPENEYE Name: 4-(2-fluorophenyl)-N-(4-fluorophenyl)-3-(tetrahydrofuran-2-ylmethyl)thiazol-2-imine
IUPAC Name: 4-(2-fluorophenyl)-N-(4-fluorophenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine
SYSTEMATIC NAME: 4-(2-fluorophenyl)-N-(4-fluorophenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine
MOLECULAR FORMULA: C20H18F2N2OS
MOLECULAR WEIGHT: 372.431526
SMILES: C1CC(OC1)CN2C(=CSC2=NC3=CC=C(C=C3)F)C4=CC=CC=C4F
Structure:
CAS RN: 5548-76-5
CAS Name: N-[[5-[[2-(4-chloroanilino)-2-oxoethyl]thio]-4-methyl-1,2,4-triazol-3-yl]methyl]-3-(2-chlorophenyl)-2-propenamide
OPENEYE Name: N-[[5-[2-(4-chloroanilino)-2-oxo-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-3-(2-chlorophenyl)prop-2-enamide
IUPAC Name: N-[[5-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-3-(2-chlorophenyl)prop-2-enamide
SYSTEMATIC NAME: 3-(2-chlorophenyl)-N-[[5-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]prop-2-enamide
MOLECULAR FORMULA: C21H19Cl2N5O2S
MOLECULAR WEIGHT: 476.37886
SMILES: CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)Cl)CNC(=O)C=CC3=CC=CC=C3Cl
Structure:
CAS RN: 5752-63-6
CAS Name: 4-[(1H-benzimidazol-2-ylthio)methyl]-N-[(3,5-dimethoxyphenyl)methylideneamino]benzamide
OPENEYE Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(3,5-dimethoxyphenyl)methyleneamino]benzamide
IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(3,5-dimethoxyphenyl)methylideneamino]benzamide
SYSTEMATIC NAME: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(3,5-dimethoxyphenyl)methylideneamino]benzamide
MOLECULAR FORMULA: C24H22N4O3S
MOLECULAR WEIGHT: 446.52148
SMILES: COC1=CC(=CC(=C1)C=NNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3)OC
Structure:
CAS RN: 5746-38-3
CAS Name: 3-(4-chlorophenyl)sulfonylpropanoic acid [1-(4-methylphenyl)-1-oxopropan-2-yl] ester
OPENEYE Name: [1-methyl-2-oxo-2-(p-tolyl)ethyl] 3-(4-chlorophenyl)sulfonylpropanoate
IUPAC Name: [1-(4-methylphenyl)-1-oxopropan-2-yl] 3-(4-chlorophenyl)sulfonylpropanoate
SYSTEMATIC NAME: [1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 3-(4-chlorophenyl)sulfonylpropanoate
MOLECULAR FORMULA: C19H19ClO5S
MOLECULAR WEIGHT: 394.86916
SMILES: CC1=CC=C(C=C1)C(=O)C(C)OC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Cl
Structure:
CAS RN: 5524-87-8
CAS Name: 3-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-2-(2-naphthalenyl)-2-propenenitrile
OPENEYE Name: 3-[4-[(4-fluorophenyl)methoxy]-3-methoxy-phenyl]-2-(2-naphthyl)prop-2-enenitrile
IUPAC Name: 3-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-2-naphthalen-2-ylprop-2-enenitrile
SYSTEMATIC NAME: 3-[4-[(4-fluorophenyl)methoxy]-3-methoxy-phenyl]-2-naphthalen-2-yl-prop-2-enenitrile
MOLECULAR FORMULA: C27H20FNO2
MOLECULAR WEIGHT: 409.451603
SMILES: COC1=C(C=CC(=C1)C=C(C#N)C2=CC3=CC=CC=C3C=C2)OCC4=CC=C(C=C4)F
Structure:
CAS RN: 5582-20-7
CAS Name: 2-[(4-nitrophenyl)sulfonylamino]-N-(pentan-2-ylideneamino)acetamide
OPENEYE Name: N-(1-methylbutylideneamino)-2-[(4-nitrophenyl)sulfonylamino]acetamide
IUPAC Name: 2-[(4-nitrophenyl)sulfonylamino]-N-(pentan-2-ylideneamino)acetamide
SYSTEMATIC NAME: 2-[(4-nitrophenyl)sulfonylamino]-N-(pentan-2-ylideneamino)ethanamide
MOLECULAR FORMULA: C13H18N4O5S
MOLECULAR WEIGHT: 342.37082
SMILES: CCCC(=NNC(=O)CNS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])C
Structure:
CAS RN: 5578-52-9
CAS Name: 1-[4-(2,5-dibromophenyl)sulfonyl-1-piperazinyl]-3-(2-oxolanylmethoxy)-2-propanol
OPENEYE Name: 1-[4-(2,5-dibromophenyl)sulfonylpiperazin-1-yl]-3-(tetrahydrofuran-2-ylmethoxy)propan-2-ol
IUPAC Name: 1-[4-(2,5-dibromophenyl)sulfonylpiperazin-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol
SYSTEMATIC NAME: 1-[4-[2,5-bis(bromanyl)phenyl]sulfonylpiperazin-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol
MOLECULAR FORMULA: C18H26Br2N2O5S
MOLECULAR WEIGHT: 542.28244
SMILES: C1CC(OC1)COCC(CN2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)Br)Br)O
Structure:
CAS RN: 5729-12-4
CAS Name: [1-[2-(diethylammonio)ethyl]-2-(3-ethoxy-4-propoxyphenyl)-4,5-dioxo-3-pyrrolidinylidene]-(2-methyl-2,3-dihydrobenzofuran-5-yl)methanolate
OPENEYE Name: [1-[2-(diethylammonio)ethyl]-2-(3-ethoxy-4-propoxy-phenyl)-4,5-dioxo-pyrrolidin-3-ylidene]-(2-methyl-2,3-dihydrobenzofuran-5-yl)methanolate
IUPAC Name: [1-[2-(diethylazaniumyl)ethyl]-2-(3-ethoxy-4-propoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene]-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
SYSTEMATIC NAME: [1-[2-(diethylazaniumyl)ethyl]-2-(3-ethoxy-4-propoxy-phenyl)-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
MOLECULAR FORMULA: C31H40N2O6
MOLECULAR WEIGHT: 536.6591
SMILES: CCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)[O-])C(=O)C(=O)N2CC[NH+](CC)CC)OCC
Structure:
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