N-[4-(cyanomethyl)phenyl]-2-(4-methylphenyl)sulfanyl-propanamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-(4-methylphenyl)sulfanyl-propanamide Openeye Name: N-[4-(cyanomethyl)phenyl]-2-(p-tolylsulfanyl)propanamide CAS Name: N-[4-(cyanomethyl)phenyl]-2-[(4-methylphenyl)thio]propanamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-2-(4-methylphenyl)sulfanylpropanamide Traditional Name: N-[4-(cyanomethyl)phenyl]-2-(p-tolylthio)propionamide Formula: C18H18N2OS MolecularWeight: 310.41332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C)C(=O)NC2=CC=C(C=C2)CC#N

Isomeric SMILES

CC1=CC=C(C=C1)SC(C)C(=O)NC2=CC=C(C=C2)CC#N

InChI

InChI=1S/C18H18N2OS/c1-13-3-9-17(10-4-13)22-14(2)18(21)20-16-7-5-15(6-8-16)11-12-19/h3-10,14H,11H2,1-2H3,(H,20,21)