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

Systemtic Name: 3,6-bis(azanyl)-4-(4-bromophenyl)-5-cyano-N-phenyl-thieno[2,3-b]pyridin-7-ium-2-carboxamide Openeye Name: 3,6-diamino-4-(4-bromophenyl)-5-cyano-N-phenyl-thieno[2,3-b]pyridin-7-ium-2-carboxamide CAS Name: 3,6-diamino-4-(4-bromophenyl)-5-cyano-N-phenyl-2-thieno[2,3-b]pyridin-7-iumcarboxamide IUPAC Name: 3,6-diamino-4-(4-bromophenyl)-5-cyano-N-phenylthieno[2,3-b]pyridin-7-ium-2-carboxamide Traditional Name: 3,6-diamino-4-(4-bromophenyl)-5-cyano-N-phenyl-thieno[2,3-b]pyridin-7-ium-2-carboxamide Formula: C21H15BrN5OS+ MolecularWeight: 465.3457

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)[NH+]=C(C(=C3C4=CC=C(C=C4)Br)C#N)N)N

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)[NH+]=C(C(=C3C4=CC=C(C=C4)Br)C#N)N)N

InChI

InChI=1S/C21H14BrN5OS/c22-12-8-6-11(7-9-12)15-14(10-23)19(25)27-21-16(15)17(24)18(29-21)20(28)26-13-4-2-1-3-5-13/h1-9H,24H2,(H2,25,27)(H,26,28)/p+1