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

Systemtic Name: 1-[2-azanyl-3-[3-(4-fluorophenyl)propylsulfanyl]-3-methyl-butanoyl]-4-fluoranyl-pyrrolidine-2-carbonitrile Openeye Name: 1-[2-amino-3-[3-(4-fluorophenyl)propylsulfanyl]-3-methyl-butanoyl]-4-fluoro-pyrrolidine-2-carbonitrile CAS Name: 1-[2-amino-3-[3-(4-fluorophenyl)propylthio]-3-methyl-1-oxobutyl]-4-fluoro-2-pyrrolidinecarbonitrile IUPAC Name: 1-[2-amino-3-[3-(4-fluorophenyl)propylsulfanyl]-3-methylbutanoyl]-4-fluoropyrrolidine-2-carbonitrile Traditional Name: 1-[2-amino-3-[3-(4-fluorophenyl)propylthio]-3-methyl-butanoyl]-4-fluoro-pyrrolidine-2-carbonitrile Formula: C19H25F2N3OS MolecularWeight: 381.483106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25F2N3OS/c1-19(2,26-9-3-4-13-5-7-14(20)8-6-13)17(23)18(25)24-12-15(21)10-16(24)11-22/h5-8,15-17H,3-4,9-10,12,23H2,1-2H3