4-(2-methylphenyl)-2-[[4-(phenylmethyl)piperidin-1-yl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione

Systemtic Name: 4-(2-methylphenyl)-2-[[4-(phenylmethyl)piperidin-1-yl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[(4-benzyl-1-piperidyl)methyl]-4-(o-tolyl)-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-(2-methylphenyl)-2-[[4-(phenylmethyl)-1-piperidinyl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-benzylpiperidin-1-yl)methyl]-4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[(4-benzylpiperidino)methyl]-4-(o-tolyl)-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C27H29N5S MolecularWeight: 455.61766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN(C2=S)CN3CCC(CC3)CC4=CC=CC=C4)C5=CC=NC=C5

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN(C2=S)CN3CCC(CC3)CC4=CC=CC=C4)C5=CC=NC=C5

InChI

InChI=1S/C27H29N5S/c1-21-7-5-6-10-25(21)32-26(24-11-15-28-16-12-24)29-31(27(32)33)20-30-17-13-23(14-18-30)19-22-8-3-2-4-9-22/h2-12,15-16,23H,13-14,17-20H2,1H3