N-(3-chloranyl-4-cyano-phenyl)-2-phenylsulfanyl-propanamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-phenylsulfanyl-propanamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2-phenylsulfanyl-propanamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-(phenylthio)propanamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-phenylsulfanylpropanamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-2-(phenylthio)propionamide Formula: C16H13ClN2OS MolecularWeight: 316.80522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)C#N)Cl)SC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)C#N)Cl)SC2=CC=CC=C2

InChI

InChI=1S/C16H13ClN2OS/c1-11(21-14-5-3-2-4-6-14)16(20)19-13-8-7-12(10-18)15(17)9-13/h2-9,11H,1H3,(H,19,20)