2-[3-(1-methylpyridin-1-ium-4-yl)-5-methylsulfanyl-1,2,4-triazol-4-yl]ethanol

Systemtic Name: 2-[3-(1-methylpyridin-1-ium-4-yl)-5-methylsulfanyl-1,2,4-triazol-4-yl]ethanol Openeye Name: 2-[3-(1-methylpyridin-1-ium-4-yl)-5-methylsulfanyl-1,2,4-triazol-4-yl]ethanol CAS Name: 2-[3-(1-methyl-4-pyridin-1-iumyl)-5-(methylthio)-1,2,4-triazol-4-yl]ethanol IUPAC Name: 2-[3-(1-methylpyridin-1-ium-4-yl)-5-methylsulfanyl-1,2,4-triazol-4-yl]ethanol Traditional Name: 2-[3-(1-methylpyridin-1-ium-4-yl)-5-(methylthio)-1,2,4-triazol-4-yl]ethanol Formula: C11H15N4OS+ MolecularWeight: 251.328

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C2=NN=C(N2CCO)SC

Isomeric SMILES

C[N+]1=CC=C(C=C1)C2=NN=C(N2CCO)SC

InChI

InChI=1S/C11H15N4OS/c1-14-5-3-9(4-6-14)10-12-13-11(17-2)15(10)7-8-16/h3-6,16H,7-8H2,1-2H3/q+1