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

Systemtic Name: 3,6-bis(azanyl)-5-cyano-4-(4-methylphenyl)-N-phenyl-thieno[2,3-b]pyridine-2-carboxamide Openeye Name: 3,6-diamino-5-cyano-N-phenyl-4-(p-tolyl)thieno[2,3-b]pyridine-2-carboxamide CAS Name: 3,6-diamino-5-cyano-4-(4-methylphenyl)-N-phenyl-2-thieno[2,3-b]pyridinecarboxamide IUPAC Name: 3,6-diamino-5-cyano-4-(4-methylphenyl)-N-phenylthieno[2,3-b]pyridine-2-carboxamide Traditional Name: 3,6-diamino-5-cyano-N-phenyl-4-(p-tolyl)thieno[2,3-b]pyridine-2-carboxamide Formula: C22H17N5OS MolecularWeight: 399.46828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=NC3=C2C(=C(S3)C(=O)NC4=CC=CC=C4)N)N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=NC3=C2C(=C(S3)C(=O)NC4=CC=CC=C4)N)N)C#N

InChI

InChI=1S/C22H17N5OS/c1-12-7-9-13(10-8-12)16-15(11-23)20(25)27-22-17(16)18(24)19(29-22)21(28)26-14-5-3-2-4-6-14/h2-10H,24H2,1H3,(H2,25,27)(H,26,28)