2-[2-azanyl-5-chloranyl-3-[4-(trifluoromethyl)phenyl]carbonyl-phenyl]-2-methylsulfanyl-ethanenitrile

Systemtic Name: 2-[2-azanyl-5-chloranyl-3-[4-(trifluoromethyl)phenyl]carbonyl-phenyl]-2-methylsulfanyl-ethanenitrile Openeye Name: 2-[2-amino-5-chloro-3-[4-(trifluoromethyl)benzoyl]phenyl]-2-methylsulfanyl-acetonitrile CAS Name: 2-[2-amino-5-chloro-3-[oxo-[4-(trifluoromethyl)phenyl]methyl]phenyl]-2-(methylthio)acetonitrile IUPAC Name: 2-[2-amino-5-chloro-3-[4-(trifluoromethyl)benzoyl]phenyl]-2-methylsulfanylacetonitrile Traditional Name: 2-[2-amino-5-chloro-3-[4-(trifluoromethyl)benzoyl]phenyl]-2-(methylthio)acetonitrile Formula: C17H12ClF3N2OS MolecularWeight: 384.80319

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Descriptors Computed from Structure

Canonical SMILES:

CSC(C#N)C1=C(C(=CC(=C1)Cl)C(=O)C2=CC=C(C=C2)C(F)(F)F)N

Isomeric SMILES

CSC(C#N)C1=C(C(=CC(=C1)Cl)C(=O)C2=CC=C(C=C2)C(F)(F)F)N

InChI

InChI=1S/C17H12ClF3N2OS/c1-25-14(8-22)12-6-11(18)7-13(15(12)23)16(24)9-2-4-10(5-3-9)17(19,20)21/h2-7,14H,23H2,1H3