3,6-bis(azanyl)-2-(4-nitrophenyl)carbonyl-thieno[2,3-b]pyridin-7-ium-5-carbonitrile

Systemtic Name: 3,6-bis(azanyl)-2-(4-nitrophenyl)carbonyl-thieno[2,3-b]pyridin-7-ium-5-carbonitrile Openeye Name: 3,6-diamino-2-(4-nitrobenzoyl)thieno[2,3-b]pyridin-7-ium-5-carbonitrile CAS Name: 3,6-diamino-2-[(4-nitrophenyl)-oxomethyl]-5-thieno[2,3-b]pyridin-7-iumcarbonitrile IUPAC Name: 3,6-diamino-2-(4-nitrobenzoyl)thieno[2,3-b]pyridin-7-ium-5-carbonitrile Traditional Name: 3,6-diamino-2-(4-nitrobenzoyl)thieno[2,3-b]pyridin-7-ium-5-carbonitrile Formula: C15H10N5O3S+ MolecularWeight: 340.3366

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C2=C(C3=C(S2)[NH+]=C(C(=C3)C#N)N)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)C2=C(C3=C(S2)[NH+]=C(C(=C3)C#N)N)N)[N+](=O)[O-]

InChI

InChI=1S/C15H9N5O3S/c16-6-8-5-10-11(17)13(24-15(10)19-14(8)18)12(21)7-1-3-9(4-2-7)20(22)23/h1-5H,17H2,(H2,18,19)/p+1