3,6-bis(azanyl)-5-cyano-N-(2-nitrophenyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide

Systemtic Name: 3,6-bis(azanyl)-5-cyano-N-(2-nitrophenyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide Openeye Name: 3,6-diamino-5-cyano-N-(2-nitrophenyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide CAS Name: 3,6-diamino-5-cyano-N-(2-nitrophenyl)-2-thieno[2,3-b]pyridin-7-iumcarboxamide IUPAC Name: 3,6-diamino-5-cyano-N-(2-nitrophenyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide Traditional Name: 3,6-diamino-5-cyano-N-(2-nitrophenyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide Formula: C15H11N6O3S+ MolecularWeight: 355.35124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)C2=C(C3=C(S2)[NH+]=C(C(=C3)C#N)N)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)C2=C(C3=C(S2)[NH+]=C(C(=C3)C#N)N)N)[N+](=O)[O-]

InChI

InChI=1S/C15H10N6O3S/c16-6-7-5-8-11(17)12(25-15(8)20-13(7)18)14(22)19-9-3-1-2-4-10(9)21(23)24/h1-5H,17H2,(H2,18,20)(H,19,22)/p+1