2-[[3-[bis(fluoranyl)methyl]phenyl]methylsulfonyl-prop-2-enyl-amino]ethanethioamide

Systemtic Name: 2-[[3-[bis(fluoranyl)methyl]phenyl]methylsulfonyl-prop-2-enyl-amino]ethanethioamide Openeye Name: 2-[allyl-[[3-(difluoromethyl)phenyl]methylsulfonyl]amino]thioacetamide CAS Name: 2-[[3-(difluoromethyl)phenyl]methylsulfonyl-prop-2-enylamino]ethanethioamide IUPAC Name: 2-[[3-(difluoromethyl)phenyl]methylsulfonyl-prop-2-enylamino]ethanethioamide Traditional Name: 2-[allyl-[3-(difluoromethyl)benzyl]sulfonyl-amino]thioacetamide Formula: C13H16F2N2O2S2 MolecularWeight: 334.405146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC(=S)N)S(=O)(=O)CC1=CC(=CC=C1)C(F)F

Isomeric SMILES

C=CCN(CC(=S)N)S(=O)(=O)CC1=CC(=CC=C1)C(F)F

InChI

InChI=1S/C13H16F2N2O2S2/c1-2-6-17(8-12(16)20)21(18,19)9-10-4-3-5-11(7-10)13(14)15/h2-5,7,13H,1,6,8-9H2,(H2,16,20)