2-(phenylmethyl)-5-(2,4,6-trimethylphenyl)carbonyl-1,2-thiazol-3-one

Systemtic Name: 2-(phenylmethyl)-5-(2,4,6-trimethylphenyl)carbonyl-1,2-thiazol-3-one Openeye Name: 2-benzyl-5-(2,4,6-trimethylbenzoyl)isothiazol-3-one CAS Name: 5-[oxo-(2,4,6-trimethylphenyl)methyl]-2-(phenylmethyl)-3-isothiazolone IUPAC Name: 2-benzyl-5-(2,4,6-trimethylbenzoyl)-1,2-thiazol-3-one Traditional Name: 2-benzyl-5-(2,4,6-trimethylbenzoyl)-4-isothiazolin-3-one Formula: C20H19NO2S MolecularWeight: 337.43536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)C2=CC(=O)N(S2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)C2=CC(=O)N(S2)CC3=CC=CC=C3)C

InChI

InChI=1S/C20H19NO2S/c1-13-9-14(2)19(15(3)10-13)20(23)17-11-18(22)21(24-17)12-16-7-5-4-6-8-16/h4-11H,12H2,1-3H3