N-[[4-(4-ethoxyphenyl)-5-[2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3-fluoranyl-benzamide

Systemtic Name: N-[[4-(4-ethoxyphenyl)-5-[2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3-fluoranyl-benzamide Openeye Name: N-[[4-(4-ethoxyphenyl)-5-[2-oxo-2-[3-(p-tolyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3-fluoro-benzamide CAS Name: N-[[4-(4-ethoxyphenyl)-5-[[2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]-1,2,4-triazol-3-yl]methyl]-3-fluorobenzamide IUPAC Name: N-[[4-(4-ethoxyphenyl)-5-[2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3-fluorobenzamide Traditional Name: 3-fluoro-N-[[5-[[2-keto-2-[5-(p-tolyl)-3-(2-thienyl)-2-pyrazolin-1-yl]ethyl]thio]-4-p-phenetyl-1,2,4-triazol-3-yl]methyl]benzamide 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)C)CNC(=O)C6=CC(=CC=C6)F

Isomeric SMILES

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

InChI

InChI=1S/C34H31FN6O3S2/c1-3-44-27-15-13-26(14-16-27)40-31(20-36-33(43)24-6-4-7-25(35)18-24)37-38-34(40)46-21-32(42)41-29(23-11-9-22(2)10-12-23)19-28(39-41)30-8-5-17-45-30/h4-18,29H,3,19-21H2,1-2H3,(H,36,43)