4,5,6-trimethoxy-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-2,3-dihydroinden-1-one

Systemtic Name: 4,5,6-trimethoxy-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-2,3-dihydroinden-1-one Openeye Name: 4,5,6-trimethoxy-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]indan-1-one CAS Name: 4,5,6-trimethoxy-2-[(6-nitro-1H-benzimidazol-2-yl)thio]-2,3-dihydroinden-1-one IUPAC Name: 4,5,6-trimethoxy-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-2,3-dihydroinden-1-one Traditional Name: 4,5,6-trimethoxy-2-[(6-nitro-1H-benzimidazol-2-yl)thio]indan-1-one Formula: C19H17N3O6S MolecularWeight: 415.41978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2CC(C(=O)C2=C1)SC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=C(C(=C2CC(C(=O)C2=C1)SC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C19H17N3O6S/c1-26-14-7-10-11(17(27-2)18(14)28-3)8-15(16(10)23)29-19-20-12-5-4-9(22(24)25)6-13(12)21-19/h4-7,15H,8H2,1-3H3,(H,20,21)