N-[2-(2-phenyl-5-sulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]but-3-enamide

Systemtic Name: N-[2-(2-phenyl-5-sulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]but-3-enamide Openeye Name: N-[2-(2-phenyl-5-sulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]but-3-enamide CAS Name: N-[2-(5-mercapto-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]-3-butenamide IUPAC Name: N-[2-(2-phenyl-5-sulfanyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]but-3-enamide Traditional Name: N-[2-(5-mercapto-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]but-3-enamide Formula: C19H19N3OS MolecularWeight: 337.43866

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(=O)NCCC1=C(NC2=NC=C(C=C12)S)C3=CC=CC=C3

Isomeric SMILES

C=CCC(=O)NCCC1=C(NC2=NC=C(C=C12)S)C3=CC=CC=C3

InChI

InChI=1S/C19H19N3OS/c1-2-6-17(23)20-10-9-15-16-11-14(24)12-21-19(16)22-18(15)13-7-4-3-5-8-13/h2-5,7-8,11-12,24H,1,6,9-10H2,(H,20,23)(H,21,22)