5-(4-chlorophenyl)carbonyl-2-(phenylmethyl)-1,2-thiazol-3-one

Systemtic Name: 5-(4-chlorophenyl)carbonyl-2-(phenylmethyl)-1,2-thiazol-3-one Openeye Name: 2-benzyl-5-(4-chlorobenzoyl)isothiazol-3-one CAS Name: 5-[(4-chlorophenyl)-oxomethyl]-2-(phenylmethyl)-3-isothiazolone IUPAC Name: 2-benzyl-5-(4-chlorobenzoyl)-1,2-thiazol-3-one Traditional Name: 2-benzyl-5-(4-chlorobenzoyl)-4-isothiazolin-3-one Formula: C17H12ClNO2S MolecularWeight: 329.80068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C=C(S2)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C=C(S2)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H12ClNO2S/c18-14-8-6-13(7-9-14)17(21)15-10-16(20)19(22-15)11-12-4-2-1-3-5-12/h1-10H,11H2