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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N4O2S/c1-3-5-6-7-8-9-10-16-23-20(27)15-17-26-21(24-25-22(26)29)18-11-13-19(14-12-18)28-4-2/h11-14H,3-10,15-17H2,1-2H3,(H,23,27)(H,25,29)