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

Systemtic Name: 2-[(4-ethylphenyl)methyl]-1,2-thiazol-3-one Openeye Name: 2-[(4-ethylphenyl)methyl]isothiazol-3-one CAS Name: 2-[(4-ethylphenyl)methyl]-3-isothiazolone IUPAC Name: 2-[(4-ethylphenyl)methyl]-1,2-thiazol-3-one Traditional Name: 2-(4-ethylbenzyl)-4-isothiazolin-3-one Formula: C12H13NOS MolecularWeight: 219.30272

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2C(=O)C=CS2

Isomeric SMILES

CCC1=CC=C(C=C1)CN2C(=O)C=CS2

InChI

InChI=1S/C12H13NOS/c1-2-10-3-5-11(6-4-10)9-13-12(14)7-8-15-13/h3-8H,2,9H2,1H3