(E)-2-tert-butylsulfonyl-3-(3-chloranyl-4-fluoranyl-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-tert-butylsulfonyl-3-(3-chloranyl-4-fluoranyl-phenyl)prop-2-enenitrile Openeye Name: (E)-2-tert-butylsulfonyl-3-(3-chloro-4-fluoro-phenyl)prop-2-enenitrile CAS Name: (E)-2-tert-butylsulfonyl-3-(3-chloro-4-fluorophenyl)-2-propenenitrile IUPAC Name: (E)-2-tert-butylsulfonyl-3-(3-chloro-4-fluorophenyl)prop-2-enenitrile Traditional Name: (E)-2-tert-butylsulfonyl-3-(3-chloro-4-fluoro-phenyl)acrylonitrile Formula: C13H13ClFNO2S MolecularWeight: 301.764223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)S(=O)(=O)C(=CC1=CC(=C(C=C1)F)Cl)C#N

Isomeric SMILES

CC(C)(C)S(=O)(=O)/C(=C/C1=CC(=C(C=C1)F)Cl)/C#N

InChI

InChI=1S/C13H13ClFNO2S/c1-13(2,3)19(17,18)10(8-16)6-9-4-5-12(15)11(14)7-9/h4-7H,1-3H3/b10-6+