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

Systemtic Name: 1-[2-azanyl-3-[(4-methoxyphenyl)methylsulfanyl]-3-methyl-butanoyl]-4-fluoranyl-pyrrolidine-2-carbonitrile Openeye Name: 1-[2-amino-3-[(4-methoxyphenyl)methylsulfanyl]-3-methyl-butanoyl]-4-fluoro-pyrrolidine-2-carbonitrile CAS Name: 1-[2-amino-3-[(4-methoxyphenyl)methylthio]-3-methyl-1-oxobutyl]-4-fluoro-2-pyrrolidinecarbonitrile IUPAC Name: 1-[2-amino-3-[(4-methoxyphenyl)methylsulfanyl]-3-methylbutanoyl]-4-fluoropyrrolidine-2-carbonitrile Traditional Name: 1-[2-amino-3-methyl-3-(p-anisylthio)butanoyl]-4-fluoro-pyrrolidine-2-carbonitrile Formula: C18H24FN3O2S MolecularWeight: 365.465463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24FN3O2S/c1-18(2,25-11-12-4-6-15(24-3)7-5-12)16(21)17(23)22-10-13(19)8-14(22)9-20/h4-7,13-14,16H,8,10-11,21H2,1-3H3