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

Systemtic Name: 2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-pentyl-ethanamide Openeye Name: N-pentyl-2-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide CAS Name: 2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-pentylacetamide IUPAC Name: 2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-pentylacetamide Traditional Name: N-amyl-2-[3-(p-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:

CCCCCNC(=O)CN1C(=NNC1=S)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCNC(=O)CN1C(=NNC1=S)C2=CC=C(C=C2)C

InChI

InChI=1S/C16H22N4OS/c1-3-4-5-10-17-14(21)11-20-15(18-19-16(20)22)13-8-6-12(2)7-9-13/h6-9H,3-5,10-11H2,1-2H3,(H,17,21)(H,19,22)