3-(2-fluorophenyl)-1,4-dimethyl-5-methylsulfanyl-1,2,4-triazol-4-ium iodide

Systemtic Name: 3-(2-fluorophenyl)-1,4-dimethyl-5-methylsulfanyl-1,2,4-triazol-4-ium iodide Openeye Name: 3-(2-fluorophenyl)-1,4-dimethyl-5-methylsulfanyl-1,2,4-triazol-4-ium iodide CAS Name: 3-(2-fluorophenyl)-1,4-dimethyl-5-(methylthio)-1,2,4-triazol-4-ium iodide IUPAC Name: 3-(2-fluorophenyl)-1,4-dimethyl-5-methylsulfanyl-1,2,4-triazol-4-ium iodide Traditional Name: 3-(2-fluorophenyl)-1,4-dimethyl-5-(methylthio)-1,2,4-triazol-4-ium iodide Formula: C11H13FIN3S MolecularWeight: 365.208893

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=[N+](C(=N1)C2=CC=CC=C2F)C)SC.[I-]

Isomeric SMILES

CN1C(=[N+](C(=N1)C2=CC=CC=C2F)C)SC.[I-]

InChI

InChI=1S/C11H13FN3S.HI/c1-14-10(13-15(2)11(14)16-3)8-6-4-5-7-9(8)12;/h4-7H,1-3H3;1H/q+1;/p-1