5-chloranyl-4-methyl-2-(phenylmethyl)-1,2-thiazol-3-one

Systemtic Name: 5-chloranyl-4-methyl-2-(phenylmethyl)-1,2-thiazol-3-one Openeye Name: 2-benzyl-5-chloro-4-methyl-isothiazol-3-one CAS Name: 5-chloro-4-methyl-2-(phenylmethyl)-3-isothiazolone IUPAC Name: 2-benzyl-5-chloro-4-methyl-1,2-thiazol-3-one Traditional Name: 2-benzyl-5-chloro-4-methyl-4-isothiazolin-3-one Formula: C11H10ClNOS MolecularWeight: 239.7212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SN(C1=O)CC2=CC=CC=C2)Cl

Isomeric SMILES

CC1=C(SN(C1=O)CC2=CC=CC=C2)Cl

InChI

InChI=1S/C11H10ClNOS/c1-8-10(12)15-13(11(8)14)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3