4-bromanyl-2-(2-methylheptan-2-yl)-1,2-thiazol-3-one

Systemtic Name: 4-bromanyl-2-(2-methylheptan-2-yl)-1,2-thiazol-3-one Openeye Name: 4-bromo-2-(1,1-dimethylhexyl)isothiazol-3-one CAS Name: 4-bromo-2-(2-methylheptan-2-yl)-3-isothiazolone IUPAC Name: 4-bromo-2-(2-methylheptan-2-yl)-1,2-thiazol-3-one Traditional Name: 4-bromo-2-(1,1-dimethylhexyl)-4-isothiazolin-3-one Formula: C11H18BrNOS MolecularWeight: 292.23572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)N1C(=O)C(=CS1)Br

Isomeric SMILES

CCCCCC(C)(C)N1C(=O)C(=CS1)Br

InChI

InChI=1S/C11H18BrNOS/c1-4-5-6-7-11(2,3)13-10(14)9(12)8-15-13/h8H,4-7H2,1-3H3