N-[1-azanyl-3-[(4-fluorophenyl)methylsulfanyl]-1-oxidanylidene-propan-2-yl]-1-(cyanomethyl)pyrrolidine-2-carboxamide

Systemtic Name: N-[1-azanyl-3-[(4-fluorophenyl)methylsulfanyl]-1-oxidanylidene-propan-2-yl]-1-(cyanomethyl)pyrrolidine-2-carboxamide Openeye Name: N-[2-amino-1-[(4-fluorophenyl)methylsulfanylmethyl]-2-oxo-ethyl]-1-(cyanomethyl)pyrrolidine-2-carboxamide CAS Name: N-[1-amino-3-[(4-fluorophenyl)methylthio]-1-oxopropan-2-yl]-1-(cyanomethyl)-2-pyrrolidinecarboxamide IUPAC Name: N-[1-amino-3-[(4-fluorophenyl)methylsulfanyl]-1-oxopropan-2-yl]-1-(cyanomethyl)pyrrolidine-2-carboxamide Traditional Name: N-[2-amino-1-[[(4-fluorobenzyl)thio]methyl]-2-keto-ethyl]-1-(cyanomethyl)pyrrolidine-2-carboxamide Formula: C17H21FN4O2S MolecularWeight: 364.437643

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CC#N)C(=O)NC(CSCC2=CC=C(C=C2)F)C(=O)N

Isomeric SMILES

C1CC(N(C1)CC#N)C(=O)NC(CSCC2=CC=C(C=C2)F)C(=O)N

InChI

InChI=1S/C17H21FN4O2S/c18-13-5-3-12(4-6-13)10-25-11-14(16(20)23)21-17(24)15-2-1-8-22(15)9-7-19/h3-6,14-15H,1-2,8-11H2,(H2,20,23)(H,21,24)