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

Systemtic Name: 1-[2-azanyl-3-methyl-3-(3-phenylpropylsulfanyl)butanoyl]-4-fluoranyl-pyrrolidine-2-carbonitrile Openeye Name: 1-[2-amino-3-methyl-3-(3-phenylpropylsulfanyl)butanoyl]-4-fluoro-pyrrolidine-2-carbonitrile CAS Name: 1-[2-amino-3-methyl-1-oxo-3-(3-phenylpropylthio)butyl]-4-fluoro-2-pyrrolidinecarbonitrile IUPAC Name: 1-[2-amino-3-methyl-3-(3-phenylpropylsulfanyl)butanoyl]-4-fluoropyrrolidine-2-carbonitrile Traditional Name: 1-[2-amino-3-methyl-3-(3-phenylpropylthio)butanoyl]-4-fluoro-pyrrolidine-2-carbonitrile Formula: C19H26FN3OS MolecularWeight: 363.492643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)N1CC(CC1C#N)F)N)SCCCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C(C(=O)N1CC(CC1C#N)F)N)SCCCC2=CC=CC=C2

InChI

InChI=1S/C19H26FN3OS/c1-19(2,25-10-6-9-14-7-4-3-5-8-14)17(22)18(24)23-13-15(20)11-16(23)12-21/h3-5,7-8,15-17H,6,9-11,13,22H2,1-2H3