1-[2-azanyl-3-methyl-3-(pyridin-2-ylmethylsulfanyl)butanoyl]-4-fluoranyl-pyrrolidine-2-carbonitrile hydrochloride

Systemtic Name: 1-[2-azanyl-3-methyl-3-(pyridin-2-ylmethylsulfanyl)butanoyl]-4-fluoranyl-pyrrolidine-2-carbonitrile hydrochloride Openeye Name: 1-[2-amino-3-methyl-3-(2-pyridylmethylsulfanyl)butanoyl]-4-fluoro-pyrrolidine-2-carbonitrile hydrochloride CAS Name: 1-[2-amino-3-methyl-1-oxo-3-(2-pyridinylmethylthio)butyl]-4-fluoro-2-pyrrolidinecarbonitrile hydrochloride IUPAC Name: 1-[2-amino-3-methyl-3-(pyridin-2-ylmethylsulfanyl)butanoyl]-4-fluoropyrrolidine-2-carbonitrile hydrochloride Traditional Name: 1-[2-amino-3-methyl-3-(2-pyridylmethylthio)butanoyl]-4-fluoro-pyrrolidine-2-carbonitrile hydrochloride Formula: C16H22ClFN4OS MolecularWeight: 372.888483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)N1CC(CC1C#N)F)N)SCC2=CC=CC=N2.Cl

Isomeric SMILES

CC(C)(C(C(=O)N1CC(CC1C#N)F)N)SCC2=CC=CC=N2.Cl

InChI

InChI=1S/C16H21FN4OS.ClH/c1-16(2,23-10-12-5-3-4-6-20-12)14(19)15(22)21-9-11(17)7-13(21)8-18;/h3-6,11,13-14H,7,9-10,19H2,1-2H3;1H