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

Systemtic Name: 2-[2-azanyl-3-(4-bromophenyl)carbonyl-phenyl]-2-methylsulfanyl-ethanenitrile Openeye Name: 2-[2-amino-3-(4-bromobenzoyl)phenyl]-2-methylsulfanyl-acetonitrile CAS Name: 2-[2-amino-3-[(4-bromophenyl)-oxomethyl]phenyl]-2-(methylthio)acetonitrile IUPAC Name: 2-[2-amino-3-(4-bromobenzoyl)phenyl]-2-methylsulfanylacetonitrile Traditional Name: 2-[2-amino-3-(4-bromobenzoyl)phenyl]-2-(methylthio)acetonitrile Formula: C16H13BrN2OS MolecularWeight: 361.25622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13BrN2OS/c1-21-14(9-18)12-3-2-4-13(15(12)19)16(20)10-5-7-11(17)8-6-10/h2-8,14H,19H2,1H3