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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]-N-veratryl-acetamide Formula: C16H22N4O3S MolecularWeight: 350.43588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCC(=O)NCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCCC1=NC(=NN1)SCC(=O)NCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C16H22N4O3S/c1-4-5-14-18-16(20-19-14)24-10-15(21)17-9-11-6-7-12(22-2)13(8-11)23-3/h6-8H,4-5,9-10H2,1-3H3,(H,17,21)(H,18,19,20)