N-[[4-(2,3-dimethylphenyl)-5-[2-[3-(4-methoxyphenyl)-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-(2,3-dimethylphenyl)-5-[2-[3-(4-methoxyphenyl)-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-(2,3-dimethylphenyl)-5-[2-[3-(4-methoxyphenyl)-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-(2,3-dimethylphenyl)-5-[[2-[3-(4-methoxyphenyl)-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-(2,3-dimethylphenyl)-5-[2-[3-(4-methoxyphenyl)-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-(2,3-dimethylphenyl)-5-[[2-keto-2-[5-(4-methoxyphenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]ethyl]thio]-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxy-benzamide Formula: C36H36N6O5S2 MolecularWeight: 696.83824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H36N6O5S2/c1-22-8-6-9-28(23(22)2)41-33(20-37-35(44)25-13-16-30(46-4)31(18-25)47-5)38-39-36(41)49-21-34(43)42-29(24-11-14-26(45-3)15-12-24)19-27(40-42)32-10-7-17-48-32/h6-18,29H,19-21H2,1-5H3,(H,37,44)