2-(4-bromanyl-3-methyl-butyl)-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one

Systemtic Name: 2-(4-bromanyl-3-methyl-butyl)-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 2-(4-bromo-3-methyl-butyl)-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-(4-bromo-3-methylbutyl)-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-(4-bromo-3-methylbutyl)-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 2-(4-bromo-3-methyl-butyl)-1,1-diketo-1,2-benzothiazol-3-one Formula: C12H14BrNO3S MolecularWeight: 332.21346

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1C(=O)C2=CC=CC=C2S1(=O)=O)CBr

Isomeric SMILES

CC(CCN1C(=O)C2=CC=CC=C2S1(=O)=O)CBr

InChI

InChI=1S/C12H14BrNO3S/c1-9(8-13)6-7-14-12(15)10-4-2-3-5-11(10)18(14,16)17/h2-5,9H,6-8H2,1H3