2-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfanyl-N-(2-cyano-3-methyl-butan-2-yl)propanamide

Systemtic Name: 2-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfanyl-N-(2-cyano-3-methyl-butan-2-yl)propanamide Openeye Name: 2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(1-cyano-1,2-dimethyl-propyl)propanamide CAS Name: 2-[[4-chloro-3-(trifluoromethyl)phenyl]thio]-N-(2-cyano-3-methylbutan-2-yl)propanamide IUPAC Name: 2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(2-cyano-3-methylbutan-2-yl)propanamide Traditional Name: 2-[[4-chloro-3-(trifluoromethyl)phenyl]thio]-N-(1-cyano-1,2-dimethyl-propyl)propionamide Formula: C16H18ClF3N2OS MolecularWeight: 378.84013

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)SC1=CC(=C(C=C1)Cl)C(F)(F)F

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)C(C)SC1=CC(=C(C=C1)Cl)C(F)(F)F

InChI

InChI=1S/C16H18ClF3N2OS/c1-9(2)15(4,8-21)22-14(23)10(3)24-11-5-6-13(17)12(7-11)16(18,19)20/h5-7,9-10H,1-4H3,(H,22,23)