4,6-dimethyl-N-[2-(phenylmethyl)phenyl]-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxamide

Systemtic Name: 4,6-dimethyl-N-[2-(phenylmethyl)phenyl]-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxamide Openeye Name: N-(2-benzylphenyl)-4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxamide CAS Name: 4,6-dimethyl-N-[2-(phenylmethyl)phenyl]-3-(1-pyrrolyl)-2-thieno[2,3-b]pyridinecarboxamide IUPAC Name: N-(2-benzylphenyl)-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide Traditional Name: N-(2-benzylphenyl)-4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxamide Formula: C27H23N3OS MolecularWeight: 437.55602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C(=C(S2)C(=O)NC3=CC=CC=C3CC4=CC=CC=C4)N5C=CC=C5)C

Isomeric SMILES

CC1=CC(=NC2=C1C(=C(S2)C(=O)NC3=CC=CC=C3CC4=CC=CC=C4)N5C=CC=C5)C

InChI

InChI=1S/C27H23N3OS/c1-18-16-19(2)28-27-23(18)24(30-14-8-9-15-30)25(32-27)26(31)29-22-13-7-6-12-21(22)17-20-10-4-3-5-11-20/h3-16H,17H2,1-2H3,(H,29,31)