N-[4-(cyanomethyl)phenyl]-3-(phenylmethylsulfanyl)propanamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-3-(phenylmethylsulfanyl)propanamide Openeye Name: 3-benzylsulfanyl-N-[4-(cyanomethyl)phenyl]propanamide CAS Name: N-[4-(cyanomethyl)phenyl]-3-(phenylmethylthio)propanamide IUPAC Name: 3-benzylsulfanyl-N-[4-(cyanomethyl)phenyl]propanamide Traditional Name: 3-(benzylthio)-N-[4-(cyanomethyl)phenyl]propionamide Formula: C18H18N2OS MolecularWeight: 310.41332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCC(=O)NC2=CC=C(C=C2)CC#N

Isomeric SMILES

C1=CC=C(C=C1)CSCCC(=O)NC2=CC=C(C=C2)CC#N

InChI

InChI=1S/C18H18N2OS/c19-12-10-15-6-8-17(9-7-15)20-18(21)11-13-22-14-16-4-2-1-3-5-16/h1-9H,10-11,13-14H2,(H,20,21)