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

Systemtic Name: N-heptan-2-yl-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Openeye Name: N-(1-methylhexyl)-3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-heptan-2-yl-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide IUPAC Name: N-heptan-2-yl-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Traditional Name: N-(1-methylhexyl)-3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C19H28N4OS MolecularWeight: 360.51682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)CCN1C(=NNC1=S)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCC(C)NC(=O)CCN1C(=NNC1=S)C2=CC=C(C=C2)C

InChI

InChI=1S/C19H28N4OS/c1-4-5-6-7-15(3)20-17(24)12-13-23-18(21-22-19(23)25)16-10-8-14(2)9-11-16/h8-11,15H,4-7,12-13H2,1-3H3,(H,20,24)(H,22,25)