5-bromanyl-2-butan-2-yl-4-methyl-1,2-thiazol-3-one

Systemtic Name: 5-bromanyl-2-butan-2-yl-4-methyl-1,2-thiazol-3-one Openeye Name: 5-bromo-4-methyl-2-sec-butyl-isothiazol-3-one CAS Name: 5-bromo-2-butan-2-yl-4-methyl-3-isothiazolone IUPAC Name: 5-bromo-2-butan-2-yl-4-methyl-1,2-thiazol-3-one Traditional Name: 5-bromo-4-methyl-2-sec-butyl-4-isothiazolin-3-one Formula: C8H12BrNOS MolecularWeight: 250.15598

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C(=C(S1)Br)C

Isomeric SMILES

CCC(C)N1C(=O)C(=C(S1)Br)C

InChI

InChI=1S/C8H12BrNOS/c1-4-5(2)10-8(11)6(3)7(9)12-10/h5H,4H2,1-3H3