2-(4-chloranylphenoxy)ethyl-methyl-[(4-methyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium

Systemtic Name: 2-(4-chloranylphenoxy)ethyl-methyl-[(4-methyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Openeye Name: 2-(4-chlorophenoxy)ethyl-methyl-[[4-methyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium CAS Name: 2-(4-chlorophenoxy)ethyl-methyl-[[4-methyl-3-(3-pyridinyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]ammonium IUPAC Name: 2-(4-chlorophenoxy)ethyl-methyl-[(4-methyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Traditional Name: 2-(4-chlorophenoxy)ethyl-methyl-[[4-methyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium Formula: C18H21ClN5OS+ MolecularWeight: 390.91024

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+](C)CCOC2=CC=C(C=C2)Cl)C3=CN=CC=C3

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+](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/p+1