2-[2-(4-bromophenyl)sulfanylethyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one

Systemtic Name: 2-[2-(4-bromophenyl)sulfanylethyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 2-[2-(4-bromophenyl)sulfanylethyl]-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-[2-[(4-bromophenyl)thio]ethyl]-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-[2-(4-bromophenyl)sulfanylethyl]-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 2-[2-[(4-bromophenyl)thio]ethyl]-1,1-diketo-1,2-benzothiazol-3-one Formula: C15H12BrNO3S2 MolecularWeight: 398.29468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCSC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCSC3=CC=C(C=C3)Br

InChI

InChI=1S/C15H12BrNO3S2/c16-11-5-7-12(8-6-11)21-10-9-17-15(18)13-3-1-2-4-14(13)22(17,19)20/h1-8H,9-10H2