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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2[S-])C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2[S-])C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C19H21N3S/c1-13-7-5-6-8-16(13)22-17(20-21-18(22)23)14-9-11-15(12-10-14)19(2,3)4/h5-12H,1-4H3,(H,21,23)/p-1