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

Systemtic Name: 2-[2-[(2-chloranyl-6-nitro-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]isoindole-1,3-dione Openeye Name: 2-[2-[(2-chloro-6-nitro-phenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]isoindoline-1,3-dione CAS Name: 2-[2-[(2-chloro-6-nitrophenyl)methylthio]-1,3-benzothiazol-6-yl]isoindole-1,3-dione IUPAC Name: 2-[2-[(2-chloro-6-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]isoindole-1,3-dione Traditional Name: 2-[2-[(2-chloro-6-nitro-benzyl)thio]-1,3-benzothiazol-6-yl]isoindoline-1,3-quinone Formula: C22H12ClN3O4S2 MolecularWeight: 481.93138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC4=C(C=C3)N=C(S4)SCC5=C(C=CC=C5Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC4=C(C=C3)N=C(S4)SCC5=C(C=CC=C5Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H12ClN3O4S2/c23-16-6-3-7-18(26(29)30)15(16)11-31-22-24-17-9-8-12(10-19(17)32-22)25-20(27)13-4-1-2-5-14(13)21(25)28/h1-10H,11H2