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

Systemtic Name: 3,6-bis(azanyl)-5-cyano-N-(2-cyanophenyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide Openeye Name: 3,6-diamino-5-cyano-N-(2-cyanophenyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide CAS Name: 3,6-diamino-5-cyano-N-(2-cyanophenyl)-2-thieno[2,3-b]pyridin-7-iumcarboxamide IUPAC Name: 3,6-diamino-5-cyano-N-(2-cyanophenyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide Traditional Name: 3,6-diamino-5-cyano-N-(2-cyanophenyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide Formula: C16H11N6OS+ MolecularWeight: 335.36314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10N6OS/c17-6-8-3-1-2-4-11(8)21-15(23)13-12(19)10-5-9(7-18)14(20)22-16(10)24-13/h1-5H,19H2,(H2,20,22)(H,21,23)/p+1