4-nitro-2-(2-phenacylsulfanyl-1,3-benzothiazol-6-yl)isoindole-1,3-dione

Systemtic Name: 4-nitro-2-(2-phenacylsulfanyl-1,3-benzothiazol-6-yl)isoindole-1,3-dione Openeye Name: 4-nitro-2-(2-phenacylsulfanyl-1,3-benzothiazol-6-yl)isoindoline-1,3-dione CAS Name: 4-nitro-2-[2-(phenacylthio)-1,3-benzothiazol-6-yl]isoindole-1,3-dione IUPAC Name: 4-nitro-2-(2-phenacylsulfanyl-1,3-benzothiazol-6-yl)isoindole-1,3-dione Traditional Name: 4-nitro-2-[2-(phenacylthio)-1,3-benzothiazol-6-yl]isoindoline-1,3-quinone Formula: C23H13N3O5S2 MolecularWeight: 475.49642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H13N3O5S2/c27-18(13-5-2-1-3-6-13)12-32-23-24-16-10-9-14(11-19(16)33-23)25-21(28)15-7-4-8-17(26(30)31)20(15)22(25)29/h1-11H,12H2