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

Systemtic Name: (E)-2-(4-fluorophenyl)sulfonyl-3-[1-(phenylmethyl)-4-pyridin-3-yl-pyrazol-3-yl]prop-2-enenitrile Openeye Name: (E)-3-[1-benzyl-4-(3-pyridyl)pyrazol-3-yl]-2-(4-fluorophenyl)sulfonyl-prop-2-enenitrile CAS Name: (E)-2-(4-fluorophenyl)sulfonyl-3-[1-(phenylmethyl)-4-(3-pyridinyl)-3-pyrazolyl]-2-propenenitrile IUPAC Name: (E)-3-(1-benzyl-4-pyridin-3-ylpyrazol-3-yl)-2-(4-fluorophenyl)sulfonylprop-2-enenitrile Traditional Name: (E)-3-[1-benzyl-4-(3-pyridyl)pyrazol-3-yl]-2-(4-fluorophenyl)sulfonyl-acrylonitrile Formula: C24H17FN4O2S MolecularWeight: 444.480783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H17FN4O2S/c25-20-8-10-21(11-9-20)32(30,31)22(14-26)13-24-23(19-7-4-12-27-15-19)17-29(28-24)16-18-5-2-1-3-6-18/h1-13,15,17H,16H2/b22-13+