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

Systemtic Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-hexyl-propanamide Openeye Name: 3-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-hexyl-propanamide CAS Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-hexylpropanamide IUPAC Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-hexylpropanamide Traditional Name: N-hexyl-3-(3-p-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)propionamide Formula: C19H28N4O2S MolecularWeight: 376.51622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)CCN1C(=NNC1=S)C2=CC=C(C=C2)OCC

Isomeric SMILES

CCCCCCNC(=O)CCN1C(=NNC1=S)C2=CC=C(C=C2)OCC

InChI

InChI=1S/C19H28N4O2S/c1-3-5-6-7-13-20-17(24)12-14-23-18(21-22-19(23)26)15-8-10-16(11-9-15)25-4-2/h8-11H,3-7,12-14H2,1-2H3,(H,20,24)(H,22,26)