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

Systemtic Name: 3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-pentyl-propanamide Openeye Name: N-pentyl-3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-pentylpropanamide IUPAC Name: 3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-pentylpropanamide Traditional Name: N-amyl-3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C17H24N4OS MolecularWeight: 332.46366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4OS/c1-3-4-5-11-18-15(22)10-12-21-16(19-20-17(21)23)14-8-6-13(2)7-9-14/h6-9H,3-5,10-12H2,1-2H3,(H,18,22)(H,20,23)