2-[2-[(2-chloranyl-6-nitro-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[2-[(2-chloranyl-6-nitro-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[2-[(2-chloro-6-nitro-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[2-[(2-chloro-6-nitrophenyl)methylthio]-1,3-benzothiazol-6-yl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[2-[(2-chloro-6-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[2-[(2-chloro-6-nitro-benzyl)thio]-1,3-benzothiazol-6-yl]-4-nitro-isoindoline-1,3-quinone Formula: C22H11ClN4O6S2 MolecularWeight: 526.92894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)C3=CC4=C(C=C3)N=C(S4)SCC5=C(C=CC=C5Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)C3=CC4=C(C=C3)N=C(S4)SCC5=C(C=CC=C5Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H11ClN4O6S2/c23-14-4-2-5-16(26(30)31)13(14)10-34-22-24-15-8-7-11(9-18(15)35-22)25-20(28)12-3-1-6-17(27(32)33)19(12)21(25)29/h1-9H,10H2