2-[2-[2-(1H-imidazol-5-yl)phenyl]ethynyl]benzenesulfinate

Systemtic Name: 2-[2-[2-(1H-imidazol-5-yl)phenyl]ethynyl]benzenesulfinate Openeye Name: 2-[2-[2-(1H-imidazol-5-yl)phenyl]ethynyl]benzenesulfinate CAS Name: 2-[2-[2-(1H-imidazol-5-yl)phenyl]ethynyl]benzenesulfinate IUPAC Name: 2-[2-[2-(1H-imidazol-5-yl)phenyl]ethynyl]benzenesulfinate Traditional Name: 2-[2-[2-(1H-imidazol-5-yl)phenyl]ethynyl]benzenesulfinate Formula: C17H11N2O2S- MolecularWeight: 307.34644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#CC2=CC=CC=C2S(=O)[O-])C3=CN=CN3

Isomeric SMILES

C1=CC=C(C(=C1)C#CC2=CC=CC=C2S(=O)[O-])C3=CN=CN3

InChI

InChI=1S/C17H12N2O2S/c20-22(21)17-8-4-2-6-14(17)10-9-13-5-1-3-7-15(13)16-11-18-12-19-16/h1-8,11-12H,(H,18,19)(H,20,21)/p-1