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

Systemtic Name: 3-(4-chlorophenyl)sulfanyl-N-[4-(cyanomethyl)phenyl]propanamide Openeye Name: 3-(4-chlorophenyl)sulfanyl-N-[4-(cyanomethyl)phenyl]propanamide CAS Name: 3-[(4-chlorophenyl)thio]-N-[4-(cyanomethyl)phenyl]propanamide IUPAC Name: 3-(4-chlorophenyl)sulfanyl-N-[4-(cyanomethyl)phenyl]propanamide Traditional Name: 3-[(4-chlorophenyl)thio]-N-[4-(cyanomethyl)phenyl]propionamide Formula: C17H15ClN2OS MolecularWeight: 330.8318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#N)NC(=O)CCSC2=CC=C(C=C2)Cl

Isomeric SMILES

C1=CC(=CC=C1CC#N)NC(=O)CCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H15ClN2OS/c18-14-3-7-16(8-4-14)22-12-10-17(21)20-15-5-1-13(2-6-15)9-11-19/h1-8H,9-10,12H2,(H,20,21)