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

Systemtic Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-heptan-2-yl-propanamide Openeye Name: 3-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(1-methylhexyl)propanamide CAS Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-heptan-2-ylpropanamide IUPAC Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-heptan-2-ylpropanamide Traditional Name: N-(1-methylhexyl)-3-(3-p-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)propionamide Formula: C20H30N4O2S MolecularWeight: 390.5428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)CCN1C(=NNC1=S)C2=CC=C(C=C2)OCC

Isomeric SMILES

CCCCCC(C)NC(=O)CCN1C(=NNC1=S)C2=CC=C(C=C2)OCC

InChI

InChI=1S/C20H30N4O2S/c1-4-6-7-8-15(3)21-18(25)13-14-24-19(22-23-20(24)27)16-9-11-17(12-10-16)26-5-2/h9-12,15H,4-8,13-14H2,1-3H3,(H,21,25)(H,23,27)