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

Systemtic Name: 2-[[methyl-(phenylmethyl)amino]methyl]-4-phenyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[benzyl(methyl)amino]methyl]-4-phenyl-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[methyl-(phenylmethyl)amino]methyl]-4-phenyl-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[benzyl(methyl)amino]methyl]-4-phenyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[benzyl(methyl)amino]methyl]-4-phenyl-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C22H21N5S MolecularWeight: 387.50064

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4=CC=CC=C4

Isomeric SMILES

CN(CC1=CC=CC=C1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H21N5S/c1-25(16-18-8-4-2-5-9-18)17-26-22(28)27(20-10-6-3-7-11-20)21(24-26)19-12-14-23-15-13-19/h2-15H,16-17H2,1H3