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

Systemtic Name: 3-azanyl-N-(4-bromophenyl)-4,6-bis(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide Openeye Name: 3-amino-N-(4-bromophenyl)-4,6-bis(p-tolyl)thieno[2,3-b]pyridine-2-carboxamide CAS Name: 3-amino-N-(4-bromophenyl)-4,6-bis(4-methylphenyl)-2-thieno[2,3-b]pyridinecarboxamide IUPAC Name: 3-amino-N-(4-bromophenyl)-4,6-bis(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide Traditional Name: 3-amino-N-(4-bromophenyl)-4,6-bis(p-tolyl)thieno[2,3-b]pyridine-2-carboxamide Formula: C28H22BrN3OS MolecularWeight: 528.46278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NC3=C2C(=C(S3)C(=O)NC4=CC=C(C=C4)Br)N)C5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NC3=C2C(=C(S3)C(=O)NC4=CC=C(C=C4)Br)N)C5=CC=C(C=C5)C

InChI

InChI=1S/C28H22BrN3OS/c1-16-3-7-18(8-4-16)22-15-23(19-9-5-17(2)6-10-19)32-28-24(22)25(30)26(34-28)27(33)31-21-13-11-20(29)12-14-21/h3-15H,30H2,1-2H3,(H,31,33)