2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-pentan-2-yl-ethanamide

Systemtic Name: 2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-pentan-2-yl-ethanamide Openeye Name: 2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(1-methylbutyl)acetamide CAS Name: 2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-pentan-2-ylacetamide IUPAC Name: 2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-pentan-2-ylacetamide Traditional Name: 2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(1-methylbutyl)acetamide Formula: C16H22N4O2S MolecularWeight: 334.43648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)CN1C(=NNC1=S)C2=CC=C(C=C2)OC

Isomeric SMILES

CCCC(C)NC(=O)CN1C(=NNC1=S)C2=CC=C(C=C2)OC

InChI

InChI=1S/C16H22N4O2S/c1-4-5-11(2)17-14(21)10-20-15(18-19-16(20)23)12-6-8-13(22-3)9-7-12/h6-9,11H,4-5,10H2,1-3H3,(H,17,21)(H,19,23)