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3-[2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanoyl]-2-oxidanyl-cyclohepta-2,4,6-trien-1-one

3-[2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanoyl]-2-oxidanyl-cyclohepta-2,4,6-trien-1-one

Systemtic Name:3-[2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanoyl]-2-oxidanyl-cyclohepta-2,4,6-trien-1-one
Openeye Name:2-hydroxy-3-[2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetyl]cyclohepta-2,4,6-trien-1-one
CAS Name:2-hydroxy-3-[2-[(6-nitro-1H-benzimidazol-2-yl)thio]-1-oxoethyl]-1-cyclohepta-2,4,6-trienone
IUPAC Name:2-hydroxy-3-[2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetyl]cyclohepta-2,4,6-trien-1-one
Traditional Name:2-hydroxy-3-[2-[(6-nitro-1H-benzimidazol-2-yl)thio]acetyl]cyclohepta-2,4,6-trien-1-one
Formula: C16H11N3O5S
MolecularWeight: 357.34064
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

C1=CC(=C(C(=O)C=C1)O)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/h1-7H,8H2,(H,17,18)(H,20,22)


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