2-(2-ethylsulfanyl-1,3-benzothiazol-6-yl)-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-(2-ethylsulfanyl-1,3-benzothiazol-6-yl)-5-nitro-isoindole-1,3-dione Openeye Name: 2-(2-ethylsulfanyl-1,3-benzothiazol-6-yl)-5-nitro-isoindoline-1,3-dione CAS Name: 2-[2-(ethylthio)-1,3-benzothiazol-6-yl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-(2-ethylsulfanyl-1,3-benzothiazol-6-yl)-5-nitroisoindole-1,3-dione Traditional Name: 2-[2-(ethylthio)-1,3-benzothiazol-6-yl]-5-nitro-isoindoline-1,3-quinone Formula: C17H11N3O4S2 MolecularWeight: 385.41694

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(S1)C=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCSC1=NC2=C(S1)C=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H11N3O4S2/c1-2-25-17-18-13-6-4-9(8-14(13)26-17)19-15(21)11-5-3-10(20(23)24)7-12(11)16(19)22/h3-8H,2H2,1H3