7-[2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanoyl]cyclohepta-3,5-diene-1,2-dione

Systemtic Name: 7-[2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanoyl]cyclohepta-3,5-diene-1,2-dione Openeye Name: 7-[2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetyl]cyclohepta-3,5-diene-1,2-dione CAS Name: 7-[2-[(6-nitro-1H-benzimidazol-2-yl)thio]-1-oxoethyl]cyclohepta-3,5-diene-1,2-dione IUPAC Name: 7-[2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetyl]cyclohepta-3,5-diene-1,2-dione Traditional Name: 7-[2-[(6-nitro-1H-benzimidazol-2-yl)thio]acetyl]cyclohepta-3,5-diene-1,2-quinone Formula: C16H11N3O5S MolecularWeight: 357.34064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(C(=O)C(=O)C=C1)C(=O)CSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(C(=O)C(=O)C=C1)C(=O)CSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H11N3O5S/c20-13-4-2-1-3-10(15(13)22)14(21)8-25-16-17-11-6-5-9(19(23)24)7-12(11)18-16/h1-7,10H,8H2,(H,17,18)