3,6-bis(azanyl)-N-(4-bromophenyl)-5-cyano-4-(4-methoxyphenyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide

Systemtic Name: 3,6-bis(azanyl)-N-(4-bromophenyl)-5-cyano-4-(4-methoxyphenyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide Openeye Name: 3,6-diamino-N-(4-bromophenyl)-5-cyano-4-(4-methoxyphenyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide CAS Name: 3,6-diamino-N-(4-bromophenyl)-5-cyano-4-(4-methoxyphenyl)-2-thieno[2,3-b]pyridin-7-iumcarboxamide IUPAC Name: 3,6-diamino-N-(4-bromophenyl)-5-cyano-4-(4-methoxyphenyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide Traditional Name: 3,6-diamino-N-(4-bromophenyl)-5-cyano-4-(4-methoxyphenyl)thieno[2,3-b]pyridin-7-ium-2-carboxamide Formula: C22H17BrN5O2S+ MolecularWeight: 495.37168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=[NH+]C3=C2C(=C(S3)C(=O)NC4=CC=C(C=C4)Br)N)N)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=[NH+]C3=C2C(=C(S3)C(=O)NC4=CC=C(C=C4)Br)N)N)C#N

InChI

InChI=1S/C22H16BrN5O2S/c1-30-14-8-2-11(3-9-14)16-15(10-24)20(26)28-22-17(16)18(25)19(31-22)21(29)27-13-6-4-12(23)5-7-13/h2-9H,25H2,1H3,(H2,26,28)(H,27,29)/p+1