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

Systemtic Name: 1-[2-azanyl-3-methyl-3-(pyridin-3-ylmethylsulfanyl)butanoyl]-4-fluoranyl-pyrrolidine-2-carbonitrile Openeye Name: 1-[2-amino-3-methyl-3-(3-pyridylmethylsulfanyl)butanoyl]-4-fluoro-pyrrolidine-2-carbonitrile CAS Name: 1-[2-amino-3-methyl-1-oxo-3-(3-pyridinylmethylthio)butyl]-4-fluoro-2-pyrrolidinecarbonitrile IUPAC Name: 1-[2-amino-3-methyl-3-(pyridin-3-ylmethylsulfanyl)butanoyl]-4-fluoropyrrolidine-2-carbonitrile Traditional Name: 1-[2-amino-3-methyl-3-(3-pyridylmethylthio)butanoyl]-4-fluoro-pyrrolidine-2-carbonitrile Formula: C16H21FN4OS MolecularWeight: 336.427543

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)N1CC(CC1C#N)F)N)SCC2=CN=CC=C2

Isomeric SMILES

CC(C)(C(C(=O)N1CC(CC1C#N)F)N)SCC2=CN=CC=C2

InChI

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