5-bromanyl-4-methyl-2-octyl-1,2-thiazol-3-one

Systemtic Name: 5-bromanyl-4-methyl-2-octyl-1,2-thiazol-3-one Openeye Name: 5-bromo-4-methyl-2-octyl-isothiazol-3-one CAS Name: 5-bromo-4-methyl-2-octyl-3-isothiazolone IUPAC Name: 5-bromo-4-methyl-2-octyl-1,2-thiazol-3-one Traditional Name: 5-bromo-4-methyl-2-octyl-4-isothiazolin-3-one Formula: C12H20BrNOS MolecularWeight: 306.2623

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=O)C(=C(S1)Br)C

Isomeric SMILES

CCCCCCCCN1C(=O)C(=C(S1)Br)C

InChI

InChI=1S/C12H20BrNOS/c1-3-4-5-6-7-8-9-14-12(15)10(2)11(13)16-14/h3-9H2,1-2H3