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

Systemtic Name: N-[[4-(4-ethoxyphenyl)-5-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenyl-ethanamide Openeye Name: N-[[4-(4-ethoxyphenyl)-5-[2-[3-(4-fluorophenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenyl-acetamide CAS Name: N-[[4-(4-ethoxyphenyl)-5-[[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide IUPAC Name: N-[[4-(4-ethoxyphenyl)-5-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide Traditional Name: N-[[5-[[2-[5-(4-fluorophenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl]thio]-4-p-phenetyl-1,2,4-triazol-3-yl]methyl]-2-phenyl-acetamide Formula: C34H31FN6O3S2 MolecularWeight: 654.776743

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3C(CC(=N3)C4=CC=CS4)C5=CC=C(C=C5)F)CNC(=O)CC6=CC=CC=C6

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3C(CC(=N3)C4=CC=CS4)C5=CC=C(C=C5)F)CNC(=O)CC6=CC=CC=C6

InChI

InChI=1S/C34H31FN6O3S2/c1-2-44-27-16-14-26(15-17-27)40-31(21-36-32(42)19-23-7-4-3-5-8-23)37-38-34(40)46-22-33(43)41-29(24-10-12-25(35)13-11-24)20-28(39-41)30-9-6-18-45-30/h3-18,29H,2,19-22H2,1H3,(H,36,42)