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

Systemtic Name: 2-(1H-1,2,4-triazol-5-ylsulfanyl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamide Openeye Name: 2-(1H-1,2,4-triazol-5-ylsulfanyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide CAS Name: 2-(1H-1,2,4-triazol-5-ylthio)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide IUPAC Name: 2-(1H-1,2,4-triazol-5-ylsulfanyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide Traditional Name: 2-(1H-1,2,4-triazol-5-ylthio)-N-(3,4,5-trimethoxybenzyl)acetamide Formula: C14H18N4O4S MolecularWeight: 338.38212

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC(=O)CSC2=NC=NN2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC(=O)CSC2=NC=NN2

InChI

InChI=1S/C14H18N4O4S/c1-20-10-4-9(5-11(21-2)13(10)22-3)6-15-12(19)7-23-14-16-8-17-18-14/h4-5,8H,6-7H2,1-3H3,(H,15,19)(H,16,17,18)