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

Systemtic Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-pentan-2-yl-ethanamide Openeye Name: N-(1-methylbutyl)-2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide CAS Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-pentan-2-ylacetamide IUPAC Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-pentan-2-ylacetamide Traditional Name: N-(1-methylbutyl)-2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C16H22N4OS MolecularWeight: 318.43708

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)CN1C(=NNC1=S)C2=CC(=CC=C2)C

Isomeric SMILES

CCCC(C)NC(=O)CN1C(=NNC1=S)C2=CC(=CC=C2)C

InChI

InChI=1S/C16H22N4OS/c1-4-6-12(3)17-14(21)10-20-15(18-19-16(20)22)13-8-5-7-11(2)9-13/h5,7-9,12H,4,6,10H2,1-3H3,(H,17,21)(H,19,22)