3-[5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile

Systemtic Name: 3-[5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: 3-[5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: 3-[5-chloro-1-(4-fluorophenyl)-3-methyl-4-pyrazolyl]-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: 3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: 3-[5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]-2-tosyl-acrylonitrile Formula: C20H15ClFN3O2S MolecularWeight: 415.868403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=C(N(N=C2C)C3=CC=C(C=C3)F)Cl)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=C(N(N=C2C)C3=CC=C(C=C3)F)Cl)C#N

InChI

InChI=1S/C20H15ClFN3O2S/c1-13-3-9-17(10-4-13)28(26,27)18(12-23)11-19-14(2)24-25(20(19)21)16-7-5-15(22)6-8-16/h3-11H,1-2H3