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

Systemtic Name: 3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-propyl-propanamide Openeye Name: N-propyl-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-propylpropanamide IUPAC Name: 3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-propylpropanamide Traditional Name: N-propyl-3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C15H20N4OS MolecularWeight: 304.4105

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N4OS/c1-3-9-16-13(20)8-10-19-14(17-18-15(19)21)12-6-4-11(2)5-7-12/h4-7H,3,8-10H2,1-2H3,(H,16,20)(H,18,21)