2-(3-bromanyl-4-methyl-phenyl)-5-(phenylcarbonyl)-1,2-thiazol-3-one

Systemtic Name: 2-(3-bromanyl-4-methyl-phenyl)-5-(phenylcarbonyl)-1,2-thiazol-3-one Openeye Name: 5-benzoyl-2-(3-bromo-4-methyl-phenyl)isothiazol-3-one CAS Name: 5-benzoyl-2-(3-bromo-4-methylphenyl)-3-isothiazolone IUPAC Name: 5-benzoyl-2-(3-bromo-4-methylphenyl)-1,2-thiazol-3-one Traditional Name: 5-benzoyl-2-(3-bromo-4-methyl-phenyl)-4-isothiazolin-3-one Formula: C17H12BrNO2S MolecularWeight: 374.25168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C=C(S2)C(=O)C3=CC=CC=C3)Br

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C=C(S2)C(=O)C3=CC=CC=C3)Br

InChI

InChI=1S/C17H12BrNO2S/c1-11-7-8-13(9-14(11)18)19-16(20)10-15(22-19)17(21)12-5-3-2-4-6-12/h2-10H,1H3