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

Systemtic Name: 2-[2-azanyl-3-(4-bromophenyl)carbonyl-5-chloranyl-phenyl]-2-methylsulfanyl-ethanenitrile Openeye Name: 2-[2-amino-3-(4-bromobenzoyl)-5-chloro-phenyl]-2-methylsulfanyl-acetonitrile CAS Name: 2-[2-amino-3-[(4-bromophenyl)-oxomethyl]-5-chlorophenyl]-2-(methylthio)acetonitrile IUPAC Name: 2-[2-amino-3-(4-bromobenzoyl)-5-chlorophenyl]-2-methylsulfanylacetonitrile Traditional Name: 2-[2-amino-3-(4-bromobenzoyl)-5-chloro-phenyl]-2-(methylthio)acetonitrile Formula: C16H12BrClN2OS MolecularWeight: 395.70128

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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)Br)N

Isomeric SMILES

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

InChI

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