N-[[4-(2,3-dimethylphenyl)-5-[2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenoxy-ethanamide

Systemtic Name: N-[[4-(2,3-dimethylphenyl)-5-[2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenoxy-ethanamide Openeye Name: N-[[4-(2,3-dimethylphenyl)-5-[2-[3-(4-methoxyphenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenoxy-acetamide CAS Name: N-[[4-(2,3-dimethylphenyl)-5-[[2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]-1,2,4-triazol-3-yl]methyl]-2-phenoxyacetamide IUPAC Name: N-[[4-(2,3-dimethylphenyl)-5-[2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenoxyacetamide Traditional Name: N-[[4-(2,3-dimethylphenyl)-5-[[2-keto-2-[5-(4-methoxyphenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]ethyl]thio]-1,2,4-triazol-3-yl]methyl]-2-phenoxy-acetamide Formula: C35H34N6O4S2 MolecularWeight: 666.81226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=NN=C2SCC(=O)N3C(CC(=N3)C4=CC=CS4)C5=CC=C(C=C5)OC)CNC(=O)COC6=CC=CC=C6)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=NN=C2SCC(=O)N3C(CC(=N3)C4=CC=CS4)C5=CC=C(C=C5)OC)CNC(=O)COC6=CC=CC=C6)C

InChI

InChI=1S/C35H34N6O4S2/c1-23-9-7-12-29(24(23)2)40-32(20-36-33(42)21-45-27-10-5-4-6-11-27)37-38-35(40)47-22-34(43)41-30(25-14-16-26(44-3)17-15-25)19-28(39-41)31-13-8-18-46-31/h4-18,30H,19-22H2,1-3H3,(H,36,42)