N-[3-[1-(6-bromanyl-4-cyano-pyridin-2-yl)ethylsulfanyl]phenyl]piperidine-1-carboxamide

Systemtic Name: N-[3-[1-(6-bromanyl-4-cyano-pyridin-2-yl)ethylsulfanyl]phenyl]piperidine-1-carboxamide Openeye Name: N-[3-[1-(6-bromo-4-cyano-2-pyridyl)ethylsulfanyl]phenyl]piperidine-1-carboxamide CAS Name: N-[3-[1-(6-bromo-4-cyano-2-pyridinyl)ethylthio]phenyl]-1-piperidinecarboxamide IUPAC Name: N-[3-[1-(6-bromo-4-cyanopyridin-2-yl)ethylsulfanyl]phenyl]piperidine-1-carboxamide Traditional Name: N-[3-[1-(6-bromo-4-cyano-2-pyridyl)ethylthio]phenyl]piperidine-1-carboxamide Formula: C20H21BrN4OS MolecularWeight: 445.37594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=CC(=C1)C#N)Br)SC2=CC=CC(=C2)NC(=O)N3CCCCC3

Isomeric SMILES

CC(C1=NC(=CC(=C1)C#N)Br)SC2=CC=CC(=C2)NC(=O)N3CCCCC3

InChI

InChI=1S/C20H21BrN4OS/c1-14(18-10-15(13-22)11-19(21)24-18)27-17-7-5-6-16(12-17)23-20(26)25-8-3-2-4-9-25/h5-7,10-12,14H,2-4,8-9H2,1H3,(H,23,26)