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

Systemtic Name: 3-azanyl-N-(4-bromophenyl)-4-(4-methoxyphenyl)-6-phenyl-thieno[2,3-b]pyridine-2-carboxamide Openeye Name: 3-amino-N-(4-bromophenyl)-4-(4-methoxyphenyl)-6-phenyl-thieno[2,3-b]pyridine-2-carboxamide CAS Name: 3-amino-N-(4-bromophenyl)-4-(4-methoxyphenyl)-6-phenyl-2-thieno[2,3-b]pyridinecarboxamide IUPAC Name: 3-amino-N-(4-bromophenyl)-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide Traditional Name: 3-amino-N-(4-bromophenyl)-4-(4-methoxyphenyl)-6-phenyl-thieno[2,3-b]pyridine-2-carboxamide Formula: C27H20BrN3O2S MolecularWeight: 530.4356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC3=C2C(=C(S3)C(=O)NC4=CC=C(C=C4)Br)N)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC3=C2C(=C(S3)C(=O)NC4=CC=C(C=C4)Br)N)C5=CC=CC=C5

InChI

InChI=1S/C27H20BrN3O2S/c1-33-20-13-7-16(8-14-20)21-15-22(17-5-3-2-4-6-17)31-27-23(21)24(29)25(34-27)26(32)30-19-11-9-18(28)10-12-19/h2-15H,29H2,1H3,(H,30,32)