2-[[4-chloranyl-3-(trifluoromethyl)phenyl]methylsulfonyl-(cyanomethyl)amino]ethanethioamide

Systemtic Name: 2-[[4-chloranyl-3-(trifluoromethyl)phenyl]methylsulfonyl-(cyanomethyl)amino]ethanethioamide Openeye Name: 2-[[4-chloro-3-(trifluoromethyl)phenyl]methylsulfonyl-(cyanomethyl)amino]thioacetamide CAS Name: 2-[[4-chloro-3-(trifluoromethyl)phenyl]methylsulfonyl-(cyanomethyl)amino]ethanethioamide IUPAC Name: 2-[[4-chloro-3-(trifluoromethyl)phenyl]methylsulfonyl-(cyanomethyl)amino]ethanethioamide Traditional Name: 2-[[4-chloro-3-(trifluoromethyl)benzyl]sulfonyl-(cyanomethyl)amino]thioacetamide Formula: C12H11ClF3N3O2S2 MolecularWeight: 385.81285

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CS(=O)(=O)N(CC#N)CC(=S)N)C(F)(F)F)Cl

Isomeric SMILES

C1=CC(=C(C=C1CS(=O)(=O)N(CC#N)CC(=S)N)C(F)(F)F)Cl

InChI

InChI=1S/C12H11ClF3N3O2S2/c13-10-2-1-8(5-9(10)12(14,15)16)7-23(20,21)19(4-3-17)6-11(18)22/h1-2,5H,4,6-7H2,(H2,18,22)