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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(5-keto-4-propyl-1H-1,2,4-triazol-3-yl)thio]-N-veratryl-acetamide Formula: C16H22N4O4S MolecularWeight: 366.43528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC(=O)NCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCCN1C(=O)NN=C1SCC(=O)NCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C16H22N4O4S/c1-4-7-20-15(22)18-19-16(20)25-10-14(21)17-9-11-5-6-12(23-2)13(8-11)24-3/h5-6,8H,4,7,9-10H2,1-3H3,(H,17,21)(H,18,22)