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

Systemtic Name: 3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-nonyl-propanamide Openeye Name: 3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-nonyl-propanamide CAS Name: 3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-nonylpropanamide IUPAC Name: 3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-nonylpropanamide Traditional Name: 3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-nonyl-propionamide Formula: C21H32N4OS MolecularWeight: 388.56998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4OS/c1-3-4-5-6-7-8-9-14-22-19(26)13-15-25-20(23-24-21(25)27)18-12-10-11-17(2)16-18/h10-12,16H,3-9,13-15H2,1-2H3,(H,22,26)(H,24,27)