N-[[4-(4-fluorophenyl)-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]benzamide

Systemtic Name: N-[[4-(4-fluorophenyl)-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]benzamide Openeye Name: N-[[4-(4-fluorophenyl)-5-[2-oxo-2-[3-(p-tolyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: N-[[4-(4-fluorophenyl)-5-[[2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: N-[[4-(4-fluorophenyl)-5-[2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: N-[[4-(4-fluorophenyl)-5-[[2-keto-2-[5-(p-tolyl)-3-(2-thienyl)-2-pyrazolin-1-yl]ethyl]thio]-1,2,4-triazol-3-yl]methyl]benzamide Formula: C32H27FN6O2S2 MolecularWeight: 610.724183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NN=C(N3C4=CC=C(C=C4)F)CNC(=O)C5=CC=CC=C5)C6=CC=CS6

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NN=C(N3C4=CC=C(C=C4)F)CNC(=O)C5=CC=CC=C5)C6=CC=CS6

InChI

InChI=1S/C32H27FN6O2S2/c1-21-9-11-22(12-10-21)27-18-26(28-8-5-17-42-28)37-39(27)30(40)20-43-32-36-35-29(38(32)25-15-13-24(33)14-16-25)19-34-31(41)23-6-3-2-4-7-23/h2-17,27H,18-20H2,1H3,(H,34,41)