(E)-4-oxidanylidene-3-(3-phenyl-1,2,3,4-thiatriazol-3-ium-5-yl)pent-2-en-2-olate

Systemtic Name: (E)-4-oxidanylidene-3-(3-phenyl-1,2,3,4-thiatriazol-3-ium-5-yl)pent-2-en-2-olate Openeye Name: (E)-4-oxo-3-(3-phenylthiatriazol-3-ium-5-yl)pent-2-en-2-olate CAS Name: (E)-4-oxo-3-(3-phenyl-5-thiatriazol-3-iumyl)-2-penten-2-olate IUPAC Name: (E)-4-oxo-3-(3-phenylthiatriazol-3-ium-5-yl)pent-2-en-2-olate Traditional Name: (E)-4-keto-3-(3-phenylthiatriazol-3-ium-5-yl)pent-2-en-2-olate Formula: C12H11N3O2S MolecularWeight: 261.29964

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C1=N[N+](=NS1)C2=CC=CC=C2)C(=O)C)[O-]

Isomeric SMILES

C/C(=C(\C1=N[N+](=NS1)C2=CC=CC=C2)/C(=O)C)/[O-]

InChI

InChI=1S/C12H11N3O2S/c1-8(16)11(9(2)17)12-13-15(14-18-12)10-6-4-3-5-7-10/h3-7H,1-2H3