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

Systemtic Name: 2-[(4-methylphenyl)methyl]-1,2-thiazol-3-one Openeye Name: 2-(p-tolylmethyl)isothiazol-3-one CAS Name: 2-[(4-methylphenyl)methyl]-3-isothiazolone IUPAC Name: 2-[(4-methylphenyl)methyl]-1,2-thiazol-3-one Traditional Name: 2-(4-methylbenzyl)-4-isothiazolin-3-one Formula: C11H11NOS MolecularWeight: 205.27614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C=CS2

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C=CS2

InChI

InChI=1S/C11H11NOS/c1-9-2-4-10(5-3-9)8-12-11(13)6-7-14-12/h2-7H,8H2,1H3