3-[(2-bromophenyl)methylsulfanyl]-N-cyano-N-methyl-propanamide

Systemtic Name: 3-[(2-bromophenyl)methylsulfanyl]-N-cyano-N-methyl-propanamide Openeye Name: 3-[(2-bromophenyl)methylsulfanyl]-N-cyano-N-methyl-propanamide CAS Name: 3-[(2-bromophenyl)methylthio]-N-cyano-N-methylpropanamide IUPAC Name: 3-[(2-bromophenyl)methylsulfanyl]-N-cyano-N-methylpropanamide Traditional Name: 3-[(2-bromobenzyl)thio]-N-cyano-N-methyl-propionamide Formula: C12H13BrN2OS MolecularWeight: 313.21342

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Descriptors Computed from Structure

Canonical SMILES:

CN(C#N)C(=O)CCSCC1=CC=CC=C1Br

Isomeric SMILES

CN(C#N)C(=O)CCSCC1=CC=CC=C1Br

InChI

InChI=1S/C12H13BrN2OS/c1-15(9-14)12(16)6-7-17-8-10-4-2-3-5-11(10)13/h2-5H,6-8H2,1H3