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

Systemtic Name: N-[[4-(4-fluorophenyl)-5-[2-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxy-benzamide Openeye Name: N-[[4-(4-fluorophenyl)-5-[2-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxy-benzamide CAS Name: N-[[4-(4-fluorophenyl)-5-[[2-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxybenzamide IUPAC Name: N-[[4-(4-fluorophenyl)-5-[2-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxybenzamide Traditional Name: N-[[4-(4-fluorophenyl)-5-[[2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-2-pyrazolin-1-yl]-2-keto-ethyl]thio]-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxy-benzamide Formula: C36H32F2N6O5S MolecularWeight: 698.738286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)F)C(=O)CSC4=NN=C(N4C5=CC=C(C=C5)F)CNC(=O)C6=CC(=C(C=C6)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)F)C(=O)CSC4=NN=C(N4C5=CC=C(C=C5)F)CNC(=O)C6=CC(=C(C=C6)OC)OC

InChI

InChI=1S/C36H32F2N6O5S/c1-47-28-15-6-22(7-16-28)29-19-30(23-4-9-25(37)10-5-23)44(42-29)34(45)21-50-36-41-40-33(43(36)27-13-11-26(38)12-14-27)20-39-35(46)24-8-17-31(48-2)32(18-24)49-3/h4-18,30H,19-21H2,1-3H3,(H,39,46)