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

Systemtic Name: 3,6-bis(azanyl)-5-cyano-N-(2-phenoxyphenyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide Openeye Name: 3,6-diamino-5-cyano-N-(2-phenoxyphenyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide CAS Name: 3,6-diamino-5-cyano-N-(2-phenoxyphenyl)-2-thieno[2,3-b]pyridin-7-iumcarboxamide IUPAC Name: 3,6-diamino-5-cyano-N-(2-phenoxyphenyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide Traditional Name: 3,6-diamino-5-cyano-N-(2-phenoxyphenyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide Formula: C21H16N5O2S+ MolecularWeight: 402.44904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)C3=C(C4=C(S3)[NH+]=C(C(=C4)C#N)N)N

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)C3=C(C4=C(S3)[NH+]=C(C(=C4)C#N)N)N

InChI

InChI=1S/C21H15N5O2S/c22-11-12-10-14-17(23)18(29-21(14)26-19(12)24)20(27)25-15-8-4-5-9-16(15)28-13-6-2-1-3-7-13/h1-10H,23H2,(H2,24,26)(H,25,27)/p+1