dimethyl-(4-methylsulfanylphenoxy)-[[3-(1,2,4-triazol-4-yl)phenyl]methyl]azanium

Systemtic Name: dimethyl-(4-methylsulfanylphenoxy)-[[3-(1,2,4-triazol-4-yl)phenyl]methyl]azanium Openeye Name: dimethyl-(4-methylsulfanylphenoxy)-[[3-(1,2,4-triazol-4-yl)phenyl]methyl]ammonium CAS Name: dimethyl-[4-(methylthio)phenoxy]-[[3-(1,2,4-triazol-4-yl)phenyl]methyl]ammonium IUPAC Name: dimethyl-(4-methylsulfanylphenoxy)-[[3-(1,2,4-triazol-4-yl)phenyl]methyl]azanium Traditional Name: dimethyl-[4-(methylthio)phenoxy]-[3-(1,2,4-triazol-4-yl)benzyl]ammonium Formula: C18H21N4OS+ MolecularWeight: 341.45054

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CC1=CC(=CC=C1)N2C=NN=C2)OC3=CC=C(C=C3)SC

Isomeric SMILES

C[N+](C)(CC1=CC(=CC=C1)N2C=NN=C2)OC3=CC=C(C=C3)SC

InChI

InChI=1S/C18H21N4OS/c1-22(2,23-17-7-9-18(24-3)10-8-17)12-15-5-4-6-16(11-15)21-13-19-20-14-21/h4-11,13-14H,12H2,1-3H3/q+1