5-[bis(oxidanyl)methylidene]-3-(3-ethylphenyl)-1,2-thiazol-4-one

Systemtic Name: 5-[bis(oxidanyl)methylidene]-3-(3-ethylphenyl)-1,2-thiazol-4-one Openeye Name: 5-(dihydroxymethylene)-3-(3-ethylphenyl)isothiazol-4-one CAS Name: 5-(dihydroxymethylidene)-3-(3-ethylphenyl)-4-isothiazolone IUPAC Name: 5-(dihydroxymethylidene)-3-(3-ethylphenyl)-1,2-thiazol-4-one Traditional Name: 5-(dihydroxymethylene)-3-(3-ethylphenyl)-2-isothiazolin-4-one Formula: C12H11NO3S MolecularWeight: 249.28564

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1)C2=NSC(=C(O)O)C2=O

Isomeric SMILES

CCC1=CC=CC(=C1)C2=NSC(=C(O)O)C2=O

InChI

InChI=1S/C12H11NO3S/c1-2-7-4-3-5-8(6-7)9-10(14)11(12(15)16)17-13-9/h3-6,15-16H,2H2,1H3