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

Systemtic Name: 3,3-bis(methylsulfanyl)-2-[3-(trifluoromethyl)phenyl]carbonyl-prop-2-enenitrile Openeye Name: 3,3-bis(methylsulfanyl)-2-[3-(trifluoromethyl)benzoyl]prop-2-enenitrile CAS Name: 3,3-bis(methylthio)-2-[oxo-[3-(trifluoromethyl)phenyl]methyl]-2-propenenitrile IUPAC Name: 3,3-bis(methylsulfanyl)-2-[3-(trifluoromethyl)benzoyl]prop-2-enenitrile Traditional Name: 3,3-bis(methylthio)-2-[3-(trifluoromethyl)benzoyl]acrylonitrile Formula: C13H10F3NOS2 MolecularWeight: 317.34981

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10F3NOS2/c1-19-12(20-2)10(7-17)11(18)8-4-3-5-9(6-8)13(14,15)16/h3-6H,1-2H3