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

Systemtic Name: 2-[[bis(phenylmethyl)amino]methyl]-4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[(dibenzylamino)methyl]-4-(o-tolyl)-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[bis(phenylmethyl)amino]methyl]-4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[(dibenzylamino)methyl]-4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[(dibenzylamino)methyl]-4-(o-tolyl)-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C29H27N5S MolecularWeight: 477.62318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN(C2=S)CN(CC3=CC=CC=C3)CC4=CC=CC=C4)C5=CC=NC=C5

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN(C2=S)CN(CC3=CC=CC=C3)CC4=CC=CC=C4)C5=CC=NC=C5

InChI

InChI=1S/C29H27N5S/c1-23-10-8-9-15-27(23)34-28(26-16-18-30-19-17-26)31-33(29(34)35)22-32(20-24-11-4-2-5-12-24)21-25-13-6-3-7-14-25/h2-19H,20-22H2,1H3