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

Systemtic Name: 2-[[(4-ethoxyphenyl)methyl-methyl-amino]methyl]-4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[(4-ethoxyphenyl)methyl-methyl-amino]methyl]-4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-4-(2-methylphenyl)-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[(4-ethoxybenzyl)-methyl-amino]methyl]-4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C25H27N5OS MolecularWeight: 445.57978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN(C)CN2C(=S)N(C(=N2)C3=CN=CC=C3)C4=CC=CC=C4C

Isomeric SMILES

CCOC1=CC=C(C=C1)CN(C)CN2C(=S)N(C(=N2)C3=CN=CC=C3)C4=CC=CC=C4C

InChI

InChI=1S/C25H27N5OS/c1-4-31-22-13-11-20(12-14-22)17-28(3)18-29-25(32)30(23-10-6-5-8-19(23)2)24(27-29)21-9-7-15-26-16-21/h5-16H,4,17-18H2,1-3H3