3-[(4-tert-butylphenoxy)methyl]-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[(4-tert-butylphenoxy)methyl]-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(4-tert-butylphenoxy)methyl]-4-(o-tolyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-[(4-tert-butylphenoxy)methyl]-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(4-tert-butylphenoxy)methyl]-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-[(4-tert-butylphenoxy)methyl]-4-(o-tolyl)-1H-1,2,4-triazole-5-thione Formula: C20H23N3OS MolecularWeight: 353.48112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NNC2=S)COC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=NNC2=S)COC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C20H23N3OS/c1-14-7-5-6-8-17(14)23-18(21-22-19(23)25)13-24-16-11-9-15(10-12-16)20(2,3)4/h5-12H,13H2,1-4H3,(H,22,25)