1-(4-fluorophenyl)-2-[(4-methyl-1,2,4-triazol-4-ium-1-yl)sulfanyl]ethanone

Systemtic Name: 1-(4-fluorophenyl)-2-[(4-methyl-1,2,4-triazol-4-ium-1-yl)sulfanyl]ethanone Openeye Name: 1-(4-fluorophenyl)-2-[(4-methyl-1,2,4-triazol-4-ium-1-yl)sulfanyl]ethanone CAS Name: 1-(4-fluorophenyl)-2-[(4-methyl-1,2,4-triazol-4-ium-1-yl)thio]ethanone IUPAC Name: 1-(4-fluorophenyl)-2-[(4-methyl-1,2,4-triazol-4-ium-1-yl)sulfanyl]ethanone Traditional Name: 1-(4-fluorophenyl)-2-[(4-methyl-1,2,4-triazol-4-ium-1-yl)thio]ethanone Formula: C11H11FN3OS+ MolecularWeight: 252.287943

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(N=C1)SCC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

C[N+]1=CN(N=C1)SCC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C11H11FN3OS/c1-14-7-13-15(8-14)17-6-11(16)9-2-4-10(12)5-3-9/h2-5,7-8H,6H2,1H3/q+1