4-(2-methyl-2H-1,3-benzothiazol-3-yl)butan-2-one bromide

Systemtic Name: 4-(2-methyl-2H-1,3-benzothiazol-3-yl)butan-2-one bromide Openeye Name: 4-(2-methyl-2H-1,3-benzothiazol-3-yl)butan-2-one bromide CAS Name: 4-(2-methyl-2H-1,3-benzothiazol-3-yl)-2-butanone bromide IUPAC Name: 4-(2-methyl-2H-1,3-benzothiazol-3-yl)butan-2-one bromide Traditional Name: 4-(2-methyl-2H-1,3-benzothiazol-3-yl)butan-2-one bromide Formula: C12H15BrNOS- MolecularWeight: 301.2226

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(C2=CC=CC=C2S1)CCC(=O)C.[Br-]

Isomeric SMILES

CC1N(C2=CC=CC=C2S1)CCC(=O)C.[Br-]

InChI

InChI=1S/C12H15NOS.BrH/c1-9(14)7-8-13-10(2)15-12-6-4-3-5-11(12)13;/h3-6,10H,7-8H2,1-2H3;1H/p-1