N-[4-(cyanomethyl)phenyl]-2-(1H-perimidin-2-ylsulfanyl)ethanamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-(1H-perimidin-2-ylsulfanyl)ethanamide Openeye Name: N-[4-(cyanomethyl)phenyl]-2-(1H-perimidin-2-ylsulfanyl)acetamide CAS Name: N-[4-(cyanomethyl)phenyl]-2-(1H-perimidin-2-ylthio)acetamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-2-(1H-perimidin-2-ylsulfanyl)acetamide Traditional Name: N-[4-(cyanomethyl)phenyl]-2-(1H-perimidin-2-ylthio)acetamide Formula: C21H16N4OS MolecularWeight: 372.44294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)NC(=NC3=CC=C2)SCC(=O)NC4=CC=C(C=C4)CC#N

Isomeric SMILES

C1=CC2=C3C(=C1)NC(=NC3=CC=C2)SCC(=O)NC4=CC=C(C=C4)CC#N

InChI

InChI=1S/C21H16N4OS/c22-12-11-14-7-9-16(10-8-14)23-19(26)13-27-21-24-17-5-1-3-15-4-2-6-18(25-21)20(15)17/h1-10H,11,13H2,(H,23,26)(H,24,25)