1-[2-azanyl-3-(2,1,3-benzoxadiazol-5-ylmethylsulfanyl)-3-methyl-butanoyl]-4-fluoranyl-pyrrolidine-2-carbonitrile hydrochloride

Systemtic Name: 1-[2-azanyl-3-(2,1,3-benzoxadiazol-5-ylmethylsulfanyl)-3-methyl-butanoyl]-4-fluoranyl-pyrrolidine-2-carbonitrile hydrochloride Openeye Name: 1-[2-amino-3-(2,1,3-benzoxadiazol-5-ylmethylsulfanyl)-3-methyl-butanoyl]-4-fluoro-pyrrolidine-2-carbonitrile hydrochloride CAS Name: 1-[2-amino-3-(2,1,3-benzoxadiazol-5-ylmethylthio)-3-methyl-1-oxobutyl]-4-fluoro-2-pyrrolidinecarbonitrile hydrochloride IUPAC Name: 1-[2-amino-3-(2,1,3-benzoxadiazol-5-ylmethylsulfanyl)-3-methylbutanoyl]-4-fluoropyrrolidine-2-carbonitrile hydrochloride Traditional Name: 1-[2-amino-3-(benzofurazan-5-ylmethylthio)-3-methyl-butanoyl]-4-fluoro-pyrrolidine-2-carbonitrile hydrochloride Formula: C17H21ClFN5O2S MolecularWeight: 413.897343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)N1CC(CC1C#N)F)N)SCC2=CC3=NON=C3C=C2.Cl

Isomeric SMILES

CC(C)(C(C(=O)N1CC(CC1C#N)F)N)SCC2=CC3=NON=C3C=C2.Cl

InChI

InChI=1S/C17H20FN5O2S.ClH/c1-17(2,15(20)16(24)23-8-11(18)6-12(23)7-19)26-9-10-3-4-13-14(5-10)22-25-21-13;/h3-5,11-12,15H,6,8-9,20H2,1-2H3;1H