1-(4-methoxyphenyl)-2-[(4-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]ethanone

Systemtic Name: 1-(4-methoxyphenyl)-2-[(4-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]ethanone Openeye Name: 1-(4-methoxyphenyl)-2-[(4-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]ethanone CAS Name: 1-(4-methoxyphenyl)-2-[(4-methyl-1H-1,2,4-triazol-4-ium-5-yl)thio]ethanone IUPAC Name: 1-(4-methoxyphenyl)-2-[(4-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]ethanone Traditional Name: 1-(4-methoxyphenyl)-2-[(4-methyl-1H-1,2,4-triazol-4-ium-5-yl)thio]ethanone Formula: C12H14N3O2S+ MolecularWeight: 264.32346

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NN=C1)SCC(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

C[N+]1=C(NN=C1)SCC(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C12H13N3O2S/c1-15-8-13-14-12(15)18-7-11(16)9-3-5-10(17-2)6-4-9/h3-6,8H,7H2,1-2H3/p+1