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

Systemtic Name: (Z)-3-oxidanylidene-1-phenyl-2-(3-phenyl-1,2,3,4-thiatriazol-3-ium-5-yl)but-1-en-1-olate Openeye Name: (Z)-3-oxo-1-phenyl-2-(3-phenylthiatriazol-3-ium-5-yl)but-1-en-1-olate CAS Name: (Z)-3-oxo-1-phenyl-2-(3-phenyl-5-thiatriazol-3-iumyl)-1-buten-1-olate IUPAC Name: (Z)-3-oxo-1-phenyl-2-(3-phenylthiatriazol-3-ium-5-yl)but-1-en-1-olate Traditional Name: (Z)-3-keto-1-phenyl-2-(3-phenylthiatriazol-3-ium-5-yl)but-1-en-1-olate Formula: C17H13N3O2S MolecularWeight: 323.36902

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C(C1=CC=CC=C1)[O-])C2=N[N+](=NS2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)/C(=C(\C1=CC=CC=C1)/[O-])/C2=N[N+](=NS2)C3=CC=CC=C3

InChI

InChI=1S/C17H13N3O2S/c1-12(21)15(16(22)13-8-4-2-5-9-13)17-18-20(19-23-17)14-10-6-3-7-11-14/h2-11H,1H3