4-[[4,5-bis(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(3,4-dimethoxyphenyl)benzamide

Systemtic Name: 4-[[4,5-bis(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(3,4-dimethoxyphenyl)benzamide Openeye Name: 4-[[4,5-bis(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(3,4-dimethoxyphenyl)benzamide CAS Name: 4-[[[4,5-bis(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-N-(3,4-dimethoxyphenyl)benzamide IUPAC Name: 4-[[4,5-bis(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(3,4-dimethoxyphenyl)benzamide Traditional Name: 4-[[[4,5-bis(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-N-(3,4-dimethoxyphenyl)benzamide Formula: C34H34N4O7S MolecularWeight: 642.72136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(N2C3=CC(=C(C=C3)OC)OC)SCC4=CC=C(C=C4)C(=O)NC5=CC(=C(C=C5)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(N2C3=CC(=C(C=C3)OC)OC)SCC4=CC=C(C=C4)C(=O)NC5=CC(=C(C=C5)OC)OC)OC

InChI

InChI=1S/C34H34N4O7S/c1-40-26-14-11-23(17-29(26)43-4)32-36-37-34(38(32)25-13-16-28(42-3)31(19-25)45-6)46-20-21-7-9-22(10-8-21)33(39)35-24-12-15-27(41-2)30(18-24)44-5/h7-19H,20H2,1-6H3,(H,35,39)