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

Systemtic Name: 2-[2-azanyl-3-(4-bromanyl-2-chloranyl-phenyl)carbonyl-phenyl]-2-methylsulfanyl-ethanenitrile Openeye Name: 2-[2-amino-3-(4-bromo-2-chloro-benzoyl)phenyl]-2-methylsulfanyl-acetonitrile CAS Name: 2-[2-amino-3-[(4-bromo-2-chlorophenyl)-oxomethyl]phenyl]-2-(methylthio)acetonitrile IUPAC Name: 2-[2-amino-3-(4-bromo-2-chlorobenzoyl)phenyl]-2-methylsulfanylacetonitrile Traditional Name: 2-[2-amino-3-(4-bromo-2-chloro-benzoyl)phenyl]-2-(methylthio)acetonitrile Formula: C16H12BrClN2OS MolecularWeight: 395.70128

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Descriptors Computed from Structure

Canonical SMILES:

CSC(C#N)C1=CC=CC(=C1N)C(=O)C2=C(C=C(C=C2)Br)Cl

Isomeric SMILES

CSC(C#N)C1=CC=CC(=C1N)C(=O)C2=C(C=C(C=C2)Br)Cl

InChI

InChI=1S/C16H12BrClN2OS/c1-22-14(8-19)11-3-2-4-12(15(11)20)16(21)10-6-5-9(17)7-13(10)18/h2-7,14H,20H2,1H3