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

Systemtic Name: 2-[[(4-ethoxy-3-methoxy-phenyl)methyl-methyl-amino]methyl]-4-ethyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[(4-ethoxy-3-methoxy-phenyl)methyl-methyl-amino]methyl]-4-ethyl-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]methyl]-4-ethyl-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]methyl]-4-ethyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[(4-ethoxy-3-methoxy-benzyl)-methyl-amino]methyl]-4-ethyl-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)CN(C)CC2=CC(=C(C=C2)OCC)OC)C3=CC=NC=C3

Isomeric SMILES

CCN1C(=NN(C1=S)CN(C)CC2=CC(=C(C=C2)OCC)OC)C3=CC=NC=C3

InChI

InChI=1S/C21H27N5O2S/c1-5-25-20(17-9-11-22-12-10-17)23-26(21(25)29)15-24(3)14-16-7-8-18(28-6-2)19(13-16)27-4/h7-13H,5-6,14-15H2,1-4H3