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

Systemtic Name: 4-nitro-2-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)isoindole-1,3-dione Openeye Name: 4-nitro-2-(2-thioxo-3H-1,3-benzothiazol-6-yl)isoindoline-1,3-dione CAS Name: 4-nitro-2-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)isoindole-1,3-dione IUPAC Name: 4-nitro-2-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)isoindole-1,3-dione Traditional Name: 4-nitro-2-(2-thioxo-3H-1,3-benzothiazol-6-yl)isoindoline-1,3-quinone Formula: C15H7N3O4S2 MolecularWeight: 357.36378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)C3=CC4=C(C=C3)NC(=S)S4

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)C3=CC4=C(C=C3)NC(=S)S4

InChI

InChI=1S/C15H7N3O4S2/c19-13-8-2-1-3-10(18(21)22)12(8)14(20)17(13)7-4-5-9-11(6-7)24-15(23)16-9/h1-6H,(H,16,23)