(E)-2-(4-fluorophenyl)sulfonyl-3-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]prop-2-enenitrile

Systemtic Name: (E)-2-(4-fluorophenyl)sulfonyl-3-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]prop-2-enenitrile Openeye Name: (E)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]-2-(4-fluorophenyl)sulfonyl-prop-2-enenitrile CAS Name: (E)-2-(4-fluorophenyl)sulfonyl-3-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]-2-propenenitrile IUPAC Name: (E)-3-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)-2-(4-fluorophenyl)sulfonylprop-2-enenitrile Traditional Name: (E)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]-2-(4-fluorophenyl)sulfonyl-acrylonitrile Formula: C23H16FN3O2S2 MolecularWeight: 449.520443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CS3)C=C(C#N)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CS3)/C=C(\C#N)/S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H16FN3O2S2/c24-19-8-10-20(11-9-19)31(28,29)21(14-25)13-18-16-27(15-17-5-2-1-3-6-17)26-23(18)22-7-4-12-30-22/h1-13,16H,15H2/b21-13+