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

Systemtic Name: 3-(4-methylphenyl)-2-(4-nitrophenyl)sulfanyl-pyrido[1,2-a]benzimidazol-1-olate Openeye Name: 2-(4-nitrophenyl)sulfanyl-3-(p-tolyl)pyrido[1,2-a]benzimidazol-1-olate CAS Name: 3-(4-methylphenyl)-2-[(4-nitrophenyl)thio]-1-pyrido[1,2-a]benzimidazololate IUPAC Name: 3-(4-methylphenyl)-2-(4-nitrophenyl)sulfanylpyrido[1,2-a]benzimidazol-1-olate Traditional Name: 2-[(4-nitrophenyl)thio]-3-(p-tolyl)pyrido[1,2-a]benzimidazol-1-olate Formula: C24H16N3O3S- MolecularWeight: 426.46714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=NC4=CC=CC=C4N3C(=C2SC5=CC=C(C=C5)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=NC4=CC=CC=C4N3C(=C2SC5=CC=C(C=C5)[N+](=O)[O-])[O-]

InChI

InChI=1S/C24H17N3O3S/c1-15-6-8-16(9-7-15)19-14-22-25-20-4-2-3-5-21(20)26(22)24(28)23(19)31-18-12-10-17(11-13-18)27(29)30/h2-14,28H,1H3/p-1