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

Systemtic Name: 2-[[2-(4-chloranylphenoxy)ethyl-methyl-amino]methyl]-4-methyl-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[2-(4-chlorophenoxy)ethyl-methyl-amino]methyl]-4-methyl-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-4-methyl-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-4-methyl-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[2-(4-chlorophenoxy)ethyl-methyl-amino]methyl]-4-methyl-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C18H20ClN5OS MolecularWeight: 389.9023

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)CN(C)CCOC2=CC=C(C=C2)Cl)C3=CN=CC=C3

Isomeric SMILES

CN1C(=NN(C1=S)CN(C)CCOC2=CC=C(C=C2)Cl)C3=CN=CC=C3

InChI

InChI=1S/C18H20ClN5OS/c1-22(10-11-25-16-7-5-15(19)6-8-16)13-24-18(26)23(2)17(21-24)14-4-3-9-20-12-14/h3-9,12H,10-11,13H2,1-2H3