2-[(3-bromanyl-5-chloranyl-phenyl)methylsulfonyl-(cyanomethyl)amino]ethanethioamide

Systemtic Name: 2-[(3-bromanyl-5-chloranyl-phenyl)methylsulfonyl-(cyanomethyl)amino]ethanethioamide Openeye Name: 2-[(3-bromo-5-chloro-phenyl)methylsulfonyl-(cyanomethyl)amino]thioacetamide CAS Name: 2-[(3-bromo-5-chlorophenyl)methylsulfonyl-(cyanomethyl)amino]ethanethioamide IUPAC Name: 2-[(3-bromo-5-chlorophenyl)methylsulfonyl-(cyanomethyl)amino]ethanethioamide Traditional Name: 2-[(3-bromo-5-chloro-benzyl)sulfonyl-(cyanomethyl)amino]thioacetamide Formula: C11H11BrClN3O2S2 MolecularWeight: 396.71094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1Cl)Br)CS(=O)(=O)N(CC#N)CC(=S)N

Isomeric SMILES

C1=C(C=C(C=C1Cl)Br)CS(=O)(=O)N(CC#N)CC(=S)N

InChI

InChI=1S/C11H11BrClN3O2S2/c12-9-3-8(4-10(13)5-9)7-20(17,18)16(2-1-14)6-11(15)19/h3-5H,2,6-7H2,(H2,15,19)