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

Systemtic Name: 5-[(4-tert-butylphenoxy)methyl]-4-(4-methylphenyl)-2-(piperidin-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-[(4-tert-butylphenoxy)methyl]-2-(1-piperidylmethyl)-4-(p-tolyl)-1,2,4-triazole-3-thione CAS Name: 5-[(4-tert-butylphenoxy)methyl]-4-(4-methylphenyl)-2-(1-piperidinylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-[(4-tert-butylphenoxy)methyl]-4-(4-methylphenyl)-2-(piperidin-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 5-[(4-tert-butylphenoxy)methyl]-2-(piperidinomethyl)-4-(p-tolyl)-1,2,4-triazole-3-thione Formula: C26H34N4OS MolecularWeight: 450.63936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN(C2=S)CN3CCCCC3)COC4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN(C2=S)CN3CCCCC3)COC4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C26H34N4OS/c1-20-8-12-22(13-9-20)30-24(18-31-23-14-10-21(11-15-23)26(2,3)4)27-29(25(30)32)19-28-16-6-5-7-17-28/h8-15H,5-7,16-19H2,1-4H3