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

Systemtic Name: 4-(4-butylphenyl)-5-(4-methylphenyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-(4-butylphenyl)-5-(p-tolyl)-1,2,4-triazole-3-thiolate CAS Name: 4-(4-butylphenyl)-5-(4-methylphenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-(4-butylphenyl)-5-(4-methylphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 4-(4-butylphenyl)-5-(p-tolyl)-1,2,4-triazole-3-thiolate Formula: C19H20N3S- MolecularWeight: 322.4472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=NN=C2[S-])C3=CC=C(C=C3)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=NN=C2[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)/p-1