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

Systemtic Name: 2-[2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]isoindole-1,3-dione Openeye Name: 2-[2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]isoindoline-1,3-dione CAS Name: 2-[2-[(4-nitrophenyl)methylthio]-1,3-benzothiazol-6-yl]isoindole-1,3-dione IUPAC Name: 2-[2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]isoindole-1,3-dione Traditional Name: 2-[2-[(4-nitrobenzyl)thio]-1,3-benzothiazol-6-yl]isoindoline-1,3-quinone Formula: C22H13N3O4S2 MolecularWeight: 447.48632

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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=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC4=C(C=C3)N=C(S4)SCC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H13N3O4S2/c26-20-16-3-1-2-4-17(16)21(27)24(20)15-9-10-18-19(11-15)31-22(23-18)30-12-13-5-7-14(8-6-13)25(28)29/h1-11H,12H2