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

Systemtic Name: (E)-2-(4-chlorophenyl)sulfonyl-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]prop-2-enenitrile Openeye Name: (E)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-2-(4-chlorophenyl)sulfonyl-prop-2-enenitrile CAS Name: (E)-2-(4-chlorophenyl)sulfonyl-3-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]-2-propenenitrile IUPAC Name: (E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-2-(4-chlorophenyl)sulfonylprop-2-enenitrile Traditional Name: (E)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-2-(4-chlorophenyl)sulfonyl-acrylonitrile Formula: C24H17ClN4O2S MolecularWeight: 460.93538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H17ClN4O2S/c25-21-8-10-22(11-9-21)32(30,31)23(14-26)13-20-17-29(16-18-5-2-1-3-6-18)28-24(20)19-7-4-12-27-15-19/h1-13,15,17H,16H2/b23-13+