4-methyl-5-[3-(phenylsulfonyl)prop-2-enylsulfanyl]-1H-1,2,4-triazol-4-ium

Systemtic Name: 4-methyl-5-[3-(phenylsulfonyl)prop-2-enylsulfanyl]-1H-1,2,4-triazol-4-ium Openeye Name: 5-[3-(benzenesulfonyl)allylsulfanyl]-4-methyl-1H-1,2,4-triazol-4-ium CAS Name: 5-[3-(benzenesulfonyl)prop-2-enylthio]-4-methyl-1H-1,2,4-triazol-4-ium IUPAC Name: 5-[3-(benzenesulfonyl)prop-2-enylsulfanyl]-4-methyl-1H-1,2,4-triazol-4-ium Traditional Name: 5-(3-besylallylthio)-4-methyl-1H-1,2,4-triazol-4-ium Formula: C12H14N3O2S2+ MolecularWeight: 296.38846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O2S2/c1-15-10-13-14-12(15)18-8-5-9-19(16,17)11-6-3-2-4-7-11/h2-7,9-10H,8H2,1H3/p+1