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

Systemtic Name: 2-[[(4-ethoxyphenyl)methyl-methyl-amino]methyl]-4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[(4-ethoxyphenyl)methyl-methyl-amino]methyl]-4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[(4-ethoxybenzyl)-methyl-amino]methyl]-4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN(C)CN2C(=S)N(C(=N2)C3=CC=NC=C3)CCOC

Isomeric SMILES

CCOC1=CC=C(C=C1)CN(C)CN2C(=S)N(C(=N2)C3=CC=NC=C3)CCOC

InChI

InChI=1S/C21H27N5O2S/c1-4-28-19-7-5-17(6-8-19)15-24(2)16-26-21(29)25(13-14-27-3)20(23-26)18-9-11-22-12-10-18/h5-12H,4,13-16H2,1-3H3