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

Systemtic Name: 4-butyl-3-(3-methylphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-butyl-3-(m-tolyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-butyl-3-(3-methylphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-butyl-3-(3-methylphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-butyl-3-(m-tolyl)-1H-1,2,4-triazole-5-thione Formula: C13H17N3S MolecularWeight: 247.35918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NNC1=S)C2=CC(=CC=C2)C

Isomeric SMILES

CCCCN1C(=NNC1=S)C2=CC(=CC=C2)C

InChI

InChI=1S/C13H17N3S/c1-3-4-8-16-12(14-15-13(16)17)11-7-5-6-10(2)9-11/h5-7,9H,3-4,8H2,1-2H3,(H,15,17)