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

Systemtic Name: 4-cyclopropyl-2-[[2-(4-methoxyphenoxy)ethyl-methyl-amino]methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 4-cyclopropyl-2-[[2-(4-methoxyphenoxy)ethyl-methyl-amino]methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-2-[[2-(4-methoxyphenoxy)ethyl-methylamino]methyl]-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 4-cyclopropyl-2-[[2-(4-methoxyphenoxy)ethyl-methylamino]methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 4-cyclopropyl-2-[[2-(4-methoxyphenoxy)ethyl-methyl-amino]methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O2S/c1-24(12-13-28-19-9-7-18(27-2)8-10-19)15-25-21(29)26(17-5-6-17)20(23-25)16-4-3-11-22-14-16/h3-4,7-11,14,17H,5-6,12-13,15H2,1-2H3