3-[4-[(2-chloranyl-6-fluoranyl-phenyl)methoxy]-3-ethoxy-phenyl]-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile

Systemtic Name: 3-[4-[(2-chloranyl-6-fluoranyl-phenyl)methoxy]-3-ethoxy-phenyl]-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: 3-[4-[(2-chloro-6-fluoro-phenyl)methoxy]-3-ethoxy-phenyl]-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: 3-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-ethoxyphenyl]-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: 3-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-ethoxyphenyl]-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: 3-[4-(2-chloro-6-fluoro-benzyl)oxy-3-ethoxy-phenyl]-2-tosyl-acrylonitrile Formula: C25H21ClFNO4S MolecularWeight: 485.954943

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)S(=O)(=O)C2=CC=C(C=C2)C)OCC3=C(C=CC=C3Cl)F

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C(C#N)S(=O)(=O)C2=CC=C(C=C2)C)OCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C25H21ClFNO4S/c1-3-31-25-14-18(9-12-24(25)32-16-21-22(26)5-4-6-23(21)27)13-20(15-28)33(29,30)19-10-7-17(2)8-11-19/h4-14H,3,16H2,1-2H3