N-[[4-(2,5-dimethylphenyl)-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]-3,4-dimethoxy-benzamide

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

CC1=CC(=C(C=C1)C)N2C(=NN=C2SCC(=O)N3C(CC(=N3)C4=CC=CS4)C5=CC=C(C=C5)F)CNC(=O)C6=CC(=C(C=C6)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=NN=C2SCC(=O)N3C(CC(=N3)C4=CC=CS4)C5=CC=C(C=C5)F)CNC(=O)C6=CC(=C(C=C6)OC)OC

InChI

InChI=1S/C35H33FN6O4S2/c1-21-7-8-22(2)27(16-21)41-32(19-37-34(44)24-11-14-29(45-3)30(17-24)46-4)38-39-35(41)48-20-33(43)42-28(23-9-12-25(36)13-10-23)18-26(40-42)31-6-5-15-47-31/h5-17,28H,18-20H2,1-4H3,(H,37,44)