4-(bromomethyl)-2-(methoxymethyl)-5-methyl-1,2-thiazol-3-one

Systemtic Name: 4-(bromomethyl)-2-(methoxymethyl)-5-methyl-1,2-thiazol-3-one Openeye Name: 4-(bromomethyl)-2-(methoxymethyl)-5-methyl-isothiazol-3-one CAS Name: 4-(bromomethyl)-2-(methoxymethyl)-5-methyl-3-isothiazolone IUPAC Name: 4-(bromomethyl)-2-(methoxymethyl)-5-methyl-1,2-thiazol-3-one Traditional Name: 4-(bromomethyl)-2-(methoxymethyl)-5-methyl-4-isothiazolin-3-one Formula: C7H10BrNO2S MolecularWeight: 252.1288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(S1)COC)CBr

Isomeric SMILES

CC1=C(C(=O)N(S1)COC)CBr

InChI

InChI=1S/C7H10BrNO2S/c1-5-6(3-8)7(10)9(12-5)4-11-2/h3-4H2,1-2H3