3,3-bis(methylsulfanyl)-2-[3-(trifluoromethyl)phenyl]sulfonyl-prop-2-enenitrile

Systemtic Name: 3,3-bis(methylsulfanyl)-2-[3-(trifluoromethyl)phenyl]sulfonyl-prop-2-enenitrile Openeye Name: 3,3-bis(methylsulfanyl)-2-[3-(trifluoromethyl)phenyl]sulfonyl-prop-2-enenitrile CAS Name: 3,3-bis(methylthio)-2-[3-(trifluoromethyl)phenyl]sulfonyl-2-propenenitrile IUPAC Name: 3,3-bis(methylsulfanyl)-2-[3-(trifluoromethyl)phenyl]sulfonylprop-2-enenitrile Traditional Name: 3,3-bis(methylthio)-2-[3-(trifluoromethyl)phenyl]sulfonyl-acrylonitrile Formula: C12H10F3NO2S3 MolecularWeight: 353.40351

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=C(C#N)S(=O)(=O)C1=CC=CC(=C1)C(F)(F)F)SC

Isomeric SMILES

CSC(=C(C#N)S(=O)(=O)C1=CC=CC(=C1)C(F)(F)F)SC

InChI

InChI=1S/C12H10F3NO2S3/c1-19-11(20-2)10(7-16)21(17,18)9-5-3-4-8(6-9)12(13,14)15/h3-6H,1-2H3