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

Systemtic Name: 3,6-bis(azanyl)-N-(4-bromophenyl)-5-cyano-4-phenyl-thieno[2,3-b]pyridine-2-carboxamide Openeye Name: 3,6-diamino-N-(4-bromophenyl)-5-cyano-4-phenyl-thieno[2,3-b]pyridine-2-carboxamide CAS Name: 3,6-diamino-N-(4-bromophenyl)-5-cyano-4-phenyl-2-thieno[2,3-b]pyridinecarboxamide IUPAC Name: 3,6-diamino-N-(4-bromophenyl)-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxamide Traditional Name: 3,6-diamino-N-(4-bromophenyl)-5-cyano-4-phenyl-thieno[2,3-b]pyridine-2-carboxamide Formula: C21H14BrN5OS MolecularWeight: 464.33776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=NC3=C2C(=C(S3)C(=O)NC4=CC=C(C=C4)Br)N)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=NC3=C2C(=C(S3)C(=O)NC4=CC=C(C=C4)Br)N)N)C#N

InChI

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