3-(4-chlorophenyl)-4-octyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(4-chlorophenyl)-4-octyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-(4-chlorophenyl)-4-octyl-1H-1,2,4-triazole-5-thione CAS Name: 3-(4-chlorophenyl)-4-octyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(4-chlorophenyl)-4-octyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-(4-chlorophenyl)-4-octyl-1H-1,2,4-triazole-5-thione Formula: C16H22ClN3S MolecularWeight: 323.88398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=NNC1=S)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCCCCCN1C(=NNC1=S)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H22ClN3S/c1-2-3-4-5-6-7-12-20-15(18-19-16(20)21)13-8-10-14(17)11-9-13/h8-11H,2-7,12H2,1H3,(H,19,21)