2-[[3-(phenylcarbonyl)phenyl]methyl]-1,2-thiazol-3-one

Systemtic Name: 2-[[3-(phenylcarbonyl)phenyl]methyl]-1,2-thiazol-3-one Openeye Name: 2-[(3-benzoylphenyl)methyl]isothiazol-3-one CAS Name: 2-[(3-benzoylphenyl)methyl]-3-isothiazolone IUPAC Name: 2-[(3-benzoylphenyl)methyl]-1,2-thiazol-3-one Traditional Name: 2-(3-benzoylbenzyl)-4-isothiazolin-3-one Formula: C17H13NO2S MolecularWeight: 295.35562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)CN3C(=O)C=CS3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)CN3C(=O)C=CS3

InChI

InChI=1S/C17H13NO2S/c19-16-9-10-21-18(16)12-13-5-4-8-15(11-13)17(20)14-6-2-1-3-7-14/h1-11H,12H2