2-(4-nitrophenyl)sulfanyl-3-(3,4,5-trimethoxyphenyl)pyrido[1,2-a]benzimidazol-1-olate

Systemtic Name: 2-(4-nitrophenyl)sulfanyl-3-(3,4,5-trimethoxyphenyl)pyrido[1,2-a]benzimidazol-1-olate Openeye Name: 2-(4-nitrophenyl)sulfanyl-3-(3,4,5-trimethoxyphenyl)pyrido[1,2-a]benzimidazol-1-olate CAS Name: 2-[(4-nitrophenyl)thio]-3-(3,4,5-trimethoxyphenyl)-1-pyrido[1,2-a]benzimidazololate IUPAC Name: 2-(4-nitrophenyl)sulfanyl-3-(3,4,5-trimethoxyphenyl)pyrido[1,2-a]benzimidazol-1-olate Traditional Name: 2-[(4-nitrophenyl)thio]-3-(3,4,5-trimethoxyphenyl)pyrido[1,2-a]benzimidazol-1-olate Formula: C26H20N3O6S- MolecularWeight: 502.5185

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=CC3=NC4=CC=CC=C4N3C(=C2SC5=CC=C(C=C5)[N+](=O)[O-])[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=CC3=NC4=CC=CC=C4N3C(=C2SC5=CC=C(C=C5)[N+](=O)[O-])[O-]

InChI

InChI=1S/C26H21N3O6S/c1-33-21-12-15(13-22(34-2)24(21)35-3)18-14-23-27-19-6-4-5-7-20(19)28(23)26(30)25(18)36-17-10-8-16(9-11-17)29(31)32/h4-14,30H,1-3H3/p-1