N-[4-(cyanomethyl)phenyl]-3-(4-methylphenyl)sulfanyl-propanamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-3-(4-methylphenyl)sulfanyl-propanamide Openeye Name: N-[4-(cyanomethyl)phenyl]-3-(p-tolylsulfanyl)propanamide CAS Name: N-[4-(cyanomethyl)phenyl]-3-[(4-methylphenyl)thio]propanamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-3-(4-methylphenyl)sulfanylpropanamide Traditional Name: N-[4-(cyanomethyl)phenyl]-3-(p-tolylthio)propionamide Formula: C18H18N2OS MolecularWeight: 310.41332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2OS/c1-14-2-8-17(9-3-14)22-13-11-18(21)20-16-6-4-15(5-7-16)10-12-19/h2-9H,10-11,13H2,1H3,(H,20,21)