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

Systemtic Name: 4-(4-butylphenyl)-3-(4-methylphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(4-butylphenyl)-3-(p-tolyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(4-butylphenyl)-3-(4-methylphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(4-butylphenyl)-3-(4-methylphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(4-butylphenyl)-3-(p-tolyl)-1H-1,2,4-triazole-5-thione Formula: C19H21N3S MolecularWeight: 323.45514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=NNC2=S)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=NNC2=S)C3=CC=C(C=C3)C

InChI

InChI=1S/C19H21N3S/c1-3-4-5-15-8-12-17(13-9-15)22-18(20-21-19(22)23)16-10-6-14(2)7-11-16/h6-13H,3-5H2,1-2H3,(H,21,23)