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

Systemtic Name: 2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-4-phenyl-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[methyl(p-tolylmethyl)amino]methyl]-4-phenyl-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-4-phenyl-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-4-phenyl-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[methyl-(4-methylbenzyl)amino]methyl]-4-phenyl-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C23H23N5S MolecularWeight: 401.52722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N5S/c1-18-10-12-19(13-11-18)16-26(2)17-27-23(29)28(21-8-4-3-5-9-21)22(25-27)20-7-6-14-24-15-20/h3-15H,16-17H2,1-2H3