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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1H-1,2,4-triazol-5-ylthio)acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide Traditional Name: N-homoveratryl-2-(1H-1,2,4-triazol-5-ylthio)acetamide Formula: C14H18N4O3S MolecularWeight: 322.38272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4O3S/c1-20-11-4-3-10(7-12(11)21-2)5-6-15-13(19)8-22-14-16-9-17-18-14/h3-4,7,9H,5-6,8H2,1-2H3,(H,15,19)(H,16,17,18)