2-[2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(6-nitro-1H-benzimidazol-2-yl)thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(6-nitro-1H-benzimidazol-2-yl)thio]ethyl]isoindoline-1,3-quinone Formula: C17H12N4O4S MolecularWeight: 368.36658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCSC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCSC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H12N4O4S/c22-15-11-3-1-2-4-12(11)16(23)20(15)7-8-26-17-18-13-6-5-10(21(24)25)9-14(13)19-17/h1-6,9H,7-8H2,(H,18,19)