8-(1H-benzimidazol-2-ylsulfanyl)-5,7-dinitro-quinoline

Systemtic Name: 8-(1H-benzimidazol-2-ylsulfanyl)-5,7-dinitro-quinoline Openeye Name: 8-(1H-benzimidazol-2-ylsulfanyl)-5,7-dinitro-quinoline CAS Name: 8-(1H-benzimidazol-2-ylthio)-5,7-dinitroquinoline IUPAC Name: 8-(1H-benzimidazol-2-ylsulfanyl)-5,7-dinitroquinoline Traditional Name: 8-(1H-benzimidazol-2-ylthio)-5,7-dinitro-quinoline Formula: C16H9N5O4S MolecularWeight: 367.33876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SC3=C(C=C(C4=C3N=CC=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SC3=C(C=C(C4=C3N=CC=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H9N5O4S/c22-20(23)12-8-13(21(24)25)15(14-9(12)4-3-7-17-14)26-16-18-10-5-1-2-6-11(10)19-16/h1-8H,(H,18,19)