2-[(4-ethanoylphenyl)methyl]-1,2-thiazol-3-one

Systemtic Name: 2-[(4-ethanoylphenyl)methyl]-1,2-thiazol-3-one Openeye Name: 2-[(4-acetylphenyl)methyl]isothiazol-3-one CAS Name: 2-[(4-acetylphenyl)methyl]-3-isothiazolone IUPAC Name: 2-[(4-acetylphenyl)methyl]-1,2-thiazol-3-one Traditional Name: 2-(4-acetylbenzyl)-4-isothiazolin-3-one Formula: C12H11NO2S MolecularWeight: 233.28624

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)CN2C(=O)C=CS2

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)CN2C(=O)C=CS2

InChI

InChI=1S/C12H11NO2S/c1-9(14)11-4-2-10(3-5-11)8-13-12(15)6-7-16-13/h2-7H,8H2,1H3