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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(1H-1,2,4-triazol-5-ylthio)acetamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide Traditional Name: 2-(1H-1,2,4-triazol-5-ylthio)-N-veratryl-acetamide Formula: C13H16N4O3S MolecularWeight: 308.35614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CSC2=NC=NN2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CSC2=NC=NN2)OC

InChI

InChI=1S/C13H16N4O3S/c1-19-10-4-3-9(5-11(10)20-2)6-14-12(18)7-21-13-15-8-16-17-13/h3-5,8H,6-7H2,1-2H3,(H,14,18)(H,15,16,17)