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2-[cyanomethyl-[[3-iodanyl-5-(trifluoromethyl)phenyl]methylsulfonyl]amino]ethanethioamide

2-[cyanomethyl-[[3-iodanyl-5-(trifluoromethyl)phenyl]methylsulfonyl]amino]ethanethioamide

Systemtic Name:2-[cyanomethyl-[[3-iodanyl-5-(trifluoromethyl)phenyl]methylsulfonyl]amino]ethanethioamide
Openeye Name:2-[cyanomethyl-[[3-iodo-5-(trifluoromethyl)phenyl]methylsulfonyl]amino]thioacetamide
CAS Name:2-[cyanomethyl-[[3-iodo-5-(trifluoromethyl)phenyl]methylsulfonyl]amino]ethanethioamide
IUPAC Name:2-[cyanomethyl-[[3-iodo-5-(trifluoromethyl)phenyl]methylsulfonyl]amino]ethanethioamide
Traditional Name:2-[cyanomethyl-[3-iodo-5-(trifluoromethyl)benzyl]sulfonyl-amino]thioacetamide
Formula: C12H11F3IN3O2S2
MolecularWeight: 477.26432
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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(F)(F)F)I)CS(=O)(=O)N(CC#N)CC(=S)N


Isomeric SMILES

C1=C(C=C(C=C1C(F)(F)F)I)CS(=O)(=O)N(CC#N)CC(=S)N


InChI

InChI=1S/C12H11F3IN3O2S2/c13-12(14,15)9-3-8(4-10(16)5-9)7-23(20,21)19(2-1-17)6-11(18)22/h3-5H,2,6-7H2,(H2,18,22)


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