N-[[5-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-4-phenethyl-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[[5-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-4-phenethyl-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxy-benzamide Openeye Name: N-[[5-[2-[3-(4-fluorophenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]sulfanyl-4-phenethyl-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxy-benzamide CAS Name: N-[[5-[[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]-4-phenethyl-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxybenzamide IUPAC Name: N-[[5-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-phenethyl-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxybenzamide Traditional Name: N-[[5-[[2-[5-(4-fluorophenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl]thio]-4-phenethyl-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxy-benzamide Formula: C35H33FN6O4S2 MolecularWeight: 684.802723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)N4C(CC(=N4)C5=CC=CS5)C6=CC=C(C=C6)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)N4C(CC(=N4)C5=CC=CS5)C6=CC=C(C=C6)F)OC

InChI

InChI=1S/C35H33FN6O4S2/c1-45-29-15-12-25(19-30(29)46-2)34(44)37-21-32-38-39-35(41(32)17-16-23-7-4-3-5-8-23)48-22-33(43)42-28(24-10-13-26(36)14-11-24)20-27(40-42)31-9-6-18-47-31/h3-15,18-19,28H,16-17,20-22H2,1-2H3,(H,37,44)