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

Systemtic Name: N-heptan-2-yl-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Openeye Name: N-(1-methylhexyl)-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-heptan-2-yl-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide IUPAC Name: N-heptan-2-yl-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Traditional Name: N-(1-methylhexyl)-3-[3-(m-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(=CC=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4OS/c1-4-5-6-9-15(3)20-17(24)11-12-23-18(21-22-19(23)25)16-10-7-8-14(2)13-16/h7-8,10,13,15H,4-6,9,11-12H2,1-3H3,(H,20,24)(H,22,25)