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

Systemtic Name: 4-cyclopropyl-2-[[(4-ethoxyphenyl)methyl-methyl-amino]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 4-cyclopropyl-2-[[(4-ethoxyphenyl)methyl-methyl-amino]methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-2-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 4-cyclopropyl-2-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 4-cyclopropyl-2-[[(4-ethoxybenzyl)-methyl-amino]methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C21H25N5OS MolecularWeight: 395.5211

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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)C4CC4

Isomeric SMILES

CCOC1=CC=C(C=C1)CN(C)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4CC4

InChI

InChI=1S/C21H25N5OS/c1-3-27-19-8-4-16(5-9-19)14-24(2)15-25-21(28)26(18-6-7-18)20(23-25)17-10-12-22-13-11-17/h4-5,8-13,18H,3,6-7,14-15H2,1-2H3