3-(4-methylphenyl)-4-pentyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(4-methylphenyl)-4-pentyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-pentyl-3-(p-tolyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(4-methylphenyl)-4-pentyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(4-methylphenyl)-4-pentyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-amyl-3-(p-tolyl)-1H-1,2,4-triazole-5-thione Formula: C14H19N3S MolecularWeight: 261.38576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NNC1=S)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCN1C(=NNC1=S)C2=CC=C(C=C2)C

InChI

InChI=1S/C14H19N3S/c1-3-4-5-10-17-13(15-16-14(17)18)12-8-6-11(2)7-9-12/h6-9H,3-5,10H2,1-2H3,(H,16,18)