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

Systemtic Name: 4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide Openeye Name: 4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide CAS Name: 4-[(1H-1,2,4-triazol-5-ylthio)methyl]-N-(3,4,5-trimethoxyphenyl)benzamide IUPAC Name: 4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide Traditional Name: 4-[(1H-1,2,4-triazol-5-ylthio)methyl]-N-(3,4,5-trimethoxyphenyl)benzamide Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O4S/c1-25-15-8-14(9-16(26-2)17(15)27-3)22-18(24)13-6-4-12(5-7-13)10-28-19-20-11-21-23-19/h4-9,11H,10H2,1-3H3,(H,22,24)(H,20,21,23)