2-butyl-5-(phenylcarbonyl)-1,2-thiazol-3-one

Systemtic Name: 2-butyl-5-(phenylcarbonyl)-1,2-thiazol-3-one Openeye Name: 5-benzoyl-2-butyl-isothiazol-3-one CAS Name: 5-benzoyl-2-butyl-3-isothiazolone IUPAC Name: 5-benzoyl-2-butyl-1,2-thiazol-3-one Traditional Name: 5-benzoyl-2-butyl-4-isothiazolin-3-one Formula: C14H15NO2S MolecularWeight: 261.3394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C=C(S1)C(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCN1C(=O)C=C(S1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H15NO2S/c1-2-3-9-15-13(16)10-12(18-15)14(17)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3