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

Systemtic Name: N-[[5-[2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-4-phenethyl-1,2,4-triazol-3-yl]methyl]-2-phenyl-ethanamide Openeye Name: N-[[5-[2-[3-(4-methoxyphenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]sulfanyl-4-phenethyl-1,2,4-triazol-3-yl]methyl]-2-phenyl-acetamide CAS Name: N-[[5-[[2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]-4-phenethyl-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide IUPAC Name: N-[[5-[2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-phenethyl-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide Traditional Name: N-[[5-[[2-keto-2-[5-(4-methoxyphenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]ethyl]thio]-4-phenethyl-1,2,4-triazol-3-yl]methyl]-2-phenyl-acetamide Formula: C35H34N6O3S2 MolecularWeight: 650.81286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NN=C(N3CCC4=CC=CC=C4)CNC(=O)CC5=CC=CC=C5)C6=CC=CS6

Isomeric SMILES

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NN=C(N3CCC4=CC=CC=C4)CNC(=O)CC5=CC=CC=C5)C6=CC=CS6

InChI

InChI=1S/C35H34N6O3S2/c1-44-28-16-14-27(15-17-28)30-22-29(31-13-8-20-45-31)39-41(30)34(43)24-46-35-38-37-32(40(35)19-18-25-9-4-2-5-10-25)23-36-33(42)21-26-11-6-3-7-12-26/h2-17,20,30H,18-19,21-24H2,1H3,(H,36,42)