2-[(5-methyl-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl)sulfanyl]ethanoate

Systemtic Name: 2-[(5-methyl-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl)sulfanyl]ethanoate Openeye Name: 2-[(5-methyl-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl)sulfanyl]acetate CAS Name: 2-[(5-methyl-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl)thio]acetate IUPAC Name: 2-[(5-methyl-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl)sulfanyl]acetate Traditional Name: 2-[(5-methyl-4-phenyl-1H-1,2,4-triazol-4-ium-3-yl)thio]acetate Formula: C11H11N3O2S MolecularWeight: 249.28894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=NN1)SCC(=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CC1=[N+](C(=NN1)SCC(=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C11H11N3O2S/c1-8-12-13-11(17-7-10(15)16)14(8)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,15,16)