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

Systemtic Name: (E)-5-oxidanylidene-4-(3-phenyl-1,2,3,4-thiatriazol-3-ium-5-yl)hex-3-en-3-olate Openeye Name: (E)-5-oxo-4-(3-phenylthiatriazol-3-ium-5-yl)hex-3-en-3-olate CAS Name: (E)-5-oxo-4-(3-phenyl-5-thiatriazol-3-iumyl)-3-hexen-3-olate IUPAC Name: (E)-5-oxo-4-(3-phenylthiatriazol-3-ium-5-yl)hex-3-en-3-olate Traditional Name: (E)-5-keto-4-(3-phenylthiatriazol-3-ium-5-yl)hex-3-en-3-olate Formula: C13H13N3O2S MolecularWeight: 275.32622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O2S/c1-3-11(18)12(9(2)17)13-14-16(15-19-13)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3