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

Systemtic Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide Openeye Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide CAS Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(1H-1,2,4-triazol-5-ylthio)acetamide IUPAC Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide Traditional Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(1H-1,2,4-triazol-5-ylthio)acetamide Formula: C16H22N4O3S MolecularWeight: 350.43588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)CSC2=NC=NN2)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)CSC2=NC=NN2)OCC

InChI

InChI=1S/C16H22N4O3S/c1-3-22-13-6-5-12(9-14(13)23-4-2)7-8-17-15(21)10-24-16-18-11-19-20-16/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,17,21)(H,18,19,20)