3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(7-methyloctyl)propanamide

Systemtic Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(7-methyloctyl)propanamide Openeye Name: 3-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(7-methyloctyl)propanamide CAS Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(7-methyloctyl)propanamide IUPAC Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(7-methyloctyl)propanamide Traditional Name: N-(7-methyloctyl)-3-(3-p-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)propionamide Formula: C22H34N4O2S MolecularWeight: 418.59596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NCCCCCCC(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NCCCCCCC(C)C

InChI

InChI=1S/C22H34N4O2S/c1-4-28-19-12-10-18(11-13-19)21-24-25-22(29)26(21)16-14-20(27)23-15-8-6-5-7-9-17(2)3/h10-13,17H,4-9,14-16H2,1-3H3,(H,23,27)(H,25,29)