(5E)-3-(phenylcarbonyl)-5-(phenylmethylidene)-2-sulfanyl-1H-imidazol-3-ium-4-one

Systemtic Name: (5E)-3-(phenylcarbonyl)-5-(phenylmethylidene)-2-sulfanyl-1H-imidazol-3-ium-4-one Openeye Name: (5E)-3-benzoyl-5-benzylidene-2-sulfanyl-1H-imidazol-3-ium-4-one CAS Name: (5E)-3-benzoyl-2-mercapto-5-(phenylmethylene)-1H-imidazol-3-ium-4-one IUPAC Name: (5E)-3-benzoyl-5-benzylidene-2-sulfanyl-1H-imidazol-3-ium-4-one Traditional Name: (5E)-5-benzal-3-benzoyl-2-mercapto-2-imidazolin-3-ium-4-one Formula: C17H13N2O2S+ MolecularWeight: 309.36232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=C2C(=O)[N+](=C(N2)S)C(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)/C=C/2\C(=O)[N+](=C(N2)S)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H12N2O2S/c20-15(13-9-5-2-6-10-13)19-16(21)14(18-17(19)22)11-12-7-3-1-4-8-12/h1-11H,(H,18,22)/p+1/b14-11+