5-(4-tert-butylphenyl)-2-[(4-methylpiperidin-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione

Systemtic Name: 5-(4-tert-butylphenyl)-2-[(4-methylpiperidin-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 5-(4-tert-butylphenyl)-2-[(4-methyl-1-piperidyl)methyl]-4-phenyl-1,2,4-triazole-3-thione CAS Name: 5-(4-tert-butylphenyl)-2-[(4-methyl-1-piperidinyl)methyl]-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 5-(4-tert-butylphenyl)-2-[(4-methylpiperidin-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 5-(4-tert-butylphenyl)-2-[(4-methylpiperidino)methyl]-4-phenyl-1,2,4-triazole-3-thione Formula: C25H32N4S MolecularWeight: 420.61338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)C(C)(C)C)C4=CC=CC=C4

Isomeric SMILES

CC1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)C(C)(C)C)C4=CC=CC=C4

InChI

InChI=1S/C25H32N4S/c1-19-14-16-27(17-15-19)18-28-24(30)29(22-8-6-5-7-9-22)23(26-28)20-10-12-21(13-11-20)25(2,3)4/h5-13,19H,14-18H2,1-4H3