(E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-methylsulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-methylsulfonyl-prop-2-enenitrile Openeye Name: (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-methylsulfonyl-prop-2-enenitrile CAS Name: (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]-2-methylsulfonyl-2-propenenitrile IUPAC Name: (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-2-methylsulfonylprop-2-enenitrile Traditional Name: (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-mesyl-acrylonitrile Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)S(=O)(=O)C)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2/C=C(\C#N)/S(=O)(=O)C)C3=CC=CC=C3)OC

InChI

InChI=1S/C21H19N3O4S/c1-27-19-10-9-15(12-20(19)28-2)21-16(11-18(13-22)29(3,25)26)14-24(23-21)17-7-5-4-6-8-17/h4-12,14H,1-3H3/b18-11+