3,3-bis(methylsulfanyl)-2-[4-(trifluoromethyloxy)phenyl]carbonyl-prop-2-enenitrile

Systemtic Name: 3,3-bis(methylsulfanyl)-2-[4-(trifluoromethyloxy)phenyl]carbonyl-prop-2-enenitrile Openeye Name: 3,3-bis(methylsulfanyl)-2-[4-(trifluoromethoxy)benzoyl]prop-2-enenitrile CAS Name: 3,3-bis(methylthio)-2-[oxo-[4-(trifluoromethoxy)phenyl]methyl]-2-propenenitrile IUPAC Name: 3,3-bis(methylsulfanyl)-2-[4-(trifluoromethoxy)benzoyl]prop-2-enenitrile Traditional Name: 3,3-bis(methylthio)-2-[4-(trifluoromethoxy)benzoyl]acrylonitrile Formula: C13H10F3NO2S2 MolecularWeight: 333.34921

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10F3NO2S2/c1-20-12(21-2)10(7-17)11(18)8-3-5-9(6-4-8)19-13(14,15)16/h3-6H,1-2H3