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

Systemtic Name: 2-[(3-chloranyl-2-fluoranyl-phenyl)methylsulfonyl-(cyanomethyl)amino]ethanethioamide Openeye Name: 2-[(3-chloro-2-fluoro-phenyl)methylsulfonyl-(cyanomethyl)amino]thioacetamide CAS Name: 2-[(3-chloro-2-fluorophenyl)methylsulfonyl-(cyanomethyl)amino]ethanethioamide IUPAC Name: 2-[(3-chloro-2-fluorophenyl)methylsulfonyl-(cyanomethyl)amino]ethanethioamide Traditional Name: 2-[(3-chloro-2-fluoro-benzyl)sulfonyl-(cyanomethyl)amino]thioacetamide Formula: C11H11ClFN3O2S2 MolecularWeight: 335.805343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)F)CS(=O)(=O)N(CC#N)CC(=S)N

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)F)CS(=O)(=O)N(CC#N)CC(=S)N

InChI

InChI=1S/C11H11ClFN3O2S2/c12-9-3-1-2-8(11(9)13)7-20(17,18)16(5-4-14)6-10(15)19/h1-3H,5-7H2,(H2,15,19)