N-[2-(4-methylphenyl)ethyl]-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxamide

Systemtic Name: N-[2-(4-methylphenyl)ethyl]-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxamide Openeye Name: N-[2-(p-tolyl)ethyl]-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxamide CAS Name: N-[2-(4-methylphenyl)ethyl]-3-(1-pyrrolyl)-2-thieno[2,3-b]pyridinecarboxamide IUPAC Name: N-[2-(4-methylphenyl)ethyl]-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide Traditional Name: N-[2-(p-tolyl)ethyl]-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxamide Formula: C21H19N3OS MolecularWeight: 361.46006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCNC(=O)C2=C(C3=C(S2)N=CC=C3)N4C=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CCNC(=O)C2=C(C3=C(S2)N=CC=C3)N4C=CC=C4

InChI

InChI=1S/C21H19N3OS/c1-15-6-8-16(9-7-15)10-12-22-20(25)19-18(24-13-2-3-14-24)17-5-4-11-23-21(17)26-19/h2-9,11,13-14H,10,12H2,1H3,(H,22,25)