2-(cyanomethylsulfanyl)-N-[3-methyl-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]benzamide

Systemtic Name: 2-(cyanomethylsulfanyl)-N-[3-methyl-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]benzamide Openeye Name: 2-(cyanomethylsulfanyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide CAS Name: 2-(cyanomethylthio)-N-[3-methyl-4-(2-oxo-1-pyrrolidinyl)phenyl]benzamide IUPAC Name: 2-(cyanomethylsulfanyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide Traditional Name: 2-(cyanomethylthio)-N-[4-(2-ketopyrrolidino)-3-methyl-phenyl]benzamide Formula: C20H19N3O2S MolecularWeight: 365.44876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2SCC#N)N3CCCC3=O

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2SCC#N)N3CCCC3=O

InChI

InChI=1S/C20H19N3O2S/c1-14-13-15(8-9-17(14)23-11-4-7-19(23)24)22-20(25)16-5-2-3-6-18(16)26-12-10-21/h2-3,5-6,8-9,13H,4,7,11-12H2,1H3,(H,22,25)