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

Systemtic Name: 3,6-bis(azanyl)-5-cyano-N,N-diphenyl-thieno[2,3-b]pyridin-7-ium-2-carboxamide Openeye Name: 3,6-diamino-5-cyano-N,N-diphenyl-thieno[2,3-b]pyridin-7-ium-2-carboxamide CAS Name: 3,6-diamino-5-cyano-N,N-diphenyl-2-thieno[2,3-b]pyridin-7-iumcarboxamide IUPAC Name: 3,6-diamino-5-cyano-N,N-diphenylthieno[2,3-b]pyridin-7-ium-2-carboxamide Traditional Name: 3,6-diamino-5-cyano-N,N-diphenyl-thieno[2,3-b]pyridin-7-ium-2-carboxamide Formula: C21H16N5OS+ MolecularWeight: 386.44964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)C3=C(C4=C(S3)[NH+]=C(C(=C4)C#N)N)N

Isomeric SMILES

C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)C3=C(C4=C(S3)[NH+]=C(C(=C4)C#N)N)N

InChI

InChI=1S/C21H15N5OS/c22-12-13-11-16-17(23)18(28-20(16)25-19(13)24)21(27)26(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-11H,23H2,(H2,24,25)/p+1