4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide

Systemtic Name: 4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide Openeye Name: 4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide CAS Name: 4-[(1H-1,2,4-triazol-5-ylthio)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide IUPAC Name: 4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide Traditional Name: 4-[(1H-1,2,4-triazol-5-ylthio)methyl]-N-(3,4,5-trimethoxybenzyl)benzamide Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC(=O)C2=CC=C(C=C2)CSC3=NC=NN3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC(=O)C2=CC=C(C=C2)CSC3=NC=NN3

InChI

InChI=1S/C20H22N4O4S/c1-26-16-8-14(9-17(27-2)18(16)28-3)10-21-19(25)15-6-4-13(5-7-15)11-29-20-22-12-23-24-20/h4-9,12H,10-11H2,1-3H3,(H,21,25)(H,22,23,24)