2-[2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[2-[[2-(4-bromophenyl)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[2-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]-5-nitro-isoindoline-1,3-quinone Formula: C23H12BrN3O5S2 MolecularWeight: 554.39248

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CSC2=NC3=C(S2)C=C(C=C3)N4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)CSC2=NC3=C(S2)C=C(C=C3)N4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-])Br

InChI

InChI=1S/C23H12BrN3O5S2/c24-13-3-1-12(2-4-13)19(28)11-33-23-25-18-8-6-14(10-20(18)34-23)26-21(29)16-7-5-15(27(31)32)9-17(16)22(26)30/h1-10H,11H2