4,5-bis(bromanyl)-2-butyl-1,2-thiazol-3-one

Systemtic Name: 4,5-bis(bromanyl)-2-butyl-1,2-thiazol-3-one Openeye Name: 4,5-dibromo-2-butyl-isothiazol-3-one CAS Name: 4,5-dibromo-2-butyl-3-isothiazolone IUPAC Name: 4,5-dibromo-2-butyl-1,2-thiazol-3-one Traditional Name: 4,5-dibromo-2-butyl-4-isothiazolin-3-one Formula: C7H9Br2NOS MolecularWeight: 315.02546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=C(S1)Br)Br

Isomeric SMILES

CCCCN1C(=O)C(=C(S1)Br)Br

InChI

InChI=1S/C7H9Br2NOS/c1-2-3-4-10-7(11)5(8)6(9)12-10/h2-4H2,1H3