5-(2-methylsulfanylethyl)-2-oxidanyl-2-phenyl-4H-1,2,4-triazol-2-ium-3-one

Systemtic Name: 5-(2-methylsulfanylethyl)-2-oxidanyl-2-phenyl-4H-1,2,4-triazol-2-ium-3-one Openeye Name: 2-hydroxy-5-(2-methylsulfanylethyl)-2-phenyl-4H-1,2,4-triazol-2-ium-3-one CAS Name: 2-hydroxy-5-[2-(methylthio)ethyl]-2-phenyl-4H-1,2,4-triazol-2-ium-3-one IUPAC Name: 2-hydroxy-5-(2-methylsulfanylethyl)-2-phenyl-4H-1,2,4-triazol-2-ium-3-one Traditional Name: 2-hydroxy-5-[2-(methylthio)ethyl]-2-phenyl-4H-1,2,4-triazol-2-ium-3-one Formula: C11H14N3O2S+ MolecularWeight: 252.31276

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC1=N[N+](C(=O)N1)(C2=CC=CC=C2)O

Isomeric SMILES

CSCCC1=N[N+](C(=O)N1)(C2=CC=CC=C2)O

InChI

InChI=1S/C11H13N3O2S/c1-17-8-7-10-12-11(15)14(16,13-10)9-5-3-2-4-6-9/h2-6,16H,7-8H2,1H3/p+1