2-[3-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[3-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]ethyl-dimethyl-azanium Openeye Name: 2-[3-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]ethyl-dimethyl-ammonium CAS Name: 2-[3-(4-methoxyphenyl)-5-(methylthio)-1,2,4-triazol-4-yl]ethyl-dimethylammonium IUPAC Name: 2-[3-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]ethyl-dimethylazanium Traditional Name: 2-[3-(4-methoxyphenyl)-5-(methylthio)-1,2,4-triazol-4-yl]ethyl-dimethyl-ammonium Formula: C14H21N4OS+ MolecularWeight: 293.40774

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN1C(=NN=C1SC)C2=CC=C(C=C2)OC

Isomeric SMILES

C[NH+](C)CCN1C(=NN=C1SC)C2=CC=C(C=C2)OC

InChI

InChI=1S/C14H20N4OS/c1-17(2)9-10-18-13(15-16-14(18)20-4)11-5-7-12(19-3)8-6-11/h5-8H,9-10H2,1-4H3/p+1