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

Systemtic Name: 2-[[(4-ethoxyphenyl)methyl-methyl-amino]methyl]-4-propyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[(4-ethoxyphenyl)methyl-methyl-amino]methyl]-4-propyl-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-4-propyl-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-4-propyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[(4-ethoxybenzyl)-methyl-amino]methyl]-4-propyl-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C21H27N5OS MolecularWeight: 397.53698

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN(C1=S)CN(C)CC2=CC=C(C=C2)OCC)C3=CC=NC=C3

Isomeric SMILES

CCCN1C(=NN(C1=S)CN(C)CC2=CC=C(C=C2)OCC)C3=CC=NC=C3

InChI

InChI=1S/C21H27N5OS/c1-4-14-25-20(18-10-12-22-13-11-18)23-26(21(25)28)16-24(3)15-17-6-8-19(9-7-17)27-5-2/h6-13H,4-5,14-16H2,1-3H3