2-(cyanomethylsulfanyl)-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]benzamide

Systemtic Name: 2-(cyanomethylsulfanyl)-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]benzamide Openeye Name: 2-(cyanomethylsulfanyl)-N-[(6-pyrrolidin-1-yl-3-pyridyl)methyl]benzamide CAS Name: 2-(cyanomethylthio)-N-[[6-(1-pyrrolidinyl)-3-pyridinyl]methyl]benzamide IUPAC Name: 2-(cyanomethylsulfanyl)-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]benzamide Traditional Name: 2-(cyanomethylthio)-N-[(6-pyrrolidino-3-pyridyl)methyl]benzamide Formula: C19H20N4OS MolecularWeight: 352.4533

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC=C(C=C2)CNC(=O)C3=CC=CC=C3SCC#N

Isomeric SMILES

C1CCN(C1)C2=NC=C(C=C2)CNC(=O)C3=CC=CC=C3SCC#N

InChI

InChI=1S/C19H20N4OS/c20-9-12-25-17-6-2-1-5-16(17)19(24)22-14-15-7-8-18(21-13-15)23-10-3-4-11-23/h1-2,5-8,13H,3-4,10-12,14H2,(H,22,24)