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

Systemtic Name: 3,6-bis(azanyl)-5-cyano-N-(2,2-diphenylethyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide Openeye Name: 3,6-diamino-5-cyano-N-(2,2-diphenylethyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide CAS Name: 3,6-diamino-5-cyano-N-(2,2-diphenylethyl)-2-thieno[2,3-b]pyridin-7-iumcarboxamide IUPAC Name: 3,6-diamino-5-cyano-N-(2,2-diphenylethyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide Traditional Name: 3,6-diamino-5-cyano-N-(2,2-diphenylethyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide Formula: C23H20N5OS+ MolecularWeight: 414.5028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CNC(=O)C2=C(C3=C(S2)[NH+]=C(C(=C3)C#N)N)N)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(CNC(=O)C2=C(C3=C(S2)[NH+]=C(C(=C3)C#N)N)N)C4=CC=CC=C4

InChI

InChI=1S/C23H19N5OS/c24-12-16-11-17-19(25)20(30-23(17)28-21(16)26)22(29)27-13-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-11,18H,13,25H2,(H2,26,28)(H,27,29)/p+1