(E)-3-(3,4-dimethylphenyl)-2-[(4-fluorophenyl)methylsulfonyl]prop-2-enenitrile

Systemtic Name: (E)-3-(3,4-dimethylphenyl)-2-[(4-fluorophenyl)methylsulfonyl]prop-2-enenitrile Openeye Name: (E)-3-(3,4-dimethylphenyl)-2-[(4-fluorophenyl)methylsulfonyl]prop-2-enenitrile CAS Name: (E)-3-(3,4-dimethylphenyl)-2-[(4-fluorophenyl)methylsulfonyl]-2-propenenitrile IUPAC Name: (E)-3-(3,4-dimethylphenyl)-2-[(4-fluorophenyl)methylsulfonyl]prop-2-enenitrile Traditional Name: (E)-3-(3,4-dimethylphenyl)-2-(4-fluorobenzyl)sulfonyl-acrylonitrile Formula: C18H16FNO2S MolecularWeight: 329.388543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=C(C#N)S(=O)(=O)CC2=CC=C(C=C2)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)/C=C(\C#N)/S(=O)(=O)CC2=CC=C(C=C2)F)C

InChI

InChI=1S/C18H16FNO2S/c1-13-3-4-16(9-14(13)2)10-18(11-20)23(21,22)12-15-5-7-17(19)8-6-15/h3-10H,12H2,1-2H3/b18-10+