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

Systemtic Name: 2-[2-azanyl-3-(4-bromanyl-2-chloranyl-phenyl)carbonyl-5-chloranyl-phenyl]-2-methylsulfanyl-ethanenitrile Openeye Name: 2-[2-amino-3-(4-bromo-2-chloro-benzoyl)-5-chloro-phenyl]-2-methylsulfanyl-acetonitrile CAS Name: 2-[2-amino-3-[(4-bromo-2-chlorophenyl)-oxomethyl]-5-chlorophenyl]-2-(methylthio)acetonitrile IUPAC Name: 2-[2-amino-3-(4-bromo-2-chlorobenzoyl)-5-chlorophenyl]-2-methylsulfanylacetonitrile Traditional Name: 2-[2-amino-3-(4-bromo-2-chloro-benzoyl)-5-chloro-phenyl]-2-(methylthio)acetonitrile Formula: C16H11BrCl2N2OS MolecularWeight: 430.14634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11BrCl2N2OS/c1-23-14(7-20)11-5-9(18)6-12(15(11)21)16(22)10-3-2-8(17)4-13(10)19/h2-6,14H,21H2,1H3