(E)-3-[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenyl-pyrazol-4-yl]-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenyl-pyrazol-4-yl]-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: (E)-3-[3-(2-methyl-2,3-dihydrobenzofuran-5-yl)-1-phenyl-pyrazol-4-yl]-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: (E)-3-[3-(2-methyl-2,3-dihydrobenzofuran-5-yl)-1-phenyl-4-pyrazolyl]-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: (E)-3-[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenylpyrazol-4-yl]-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: (E)-3-[3-(2-methylcoumaran-5-yl)-1-phenyl-pyrazol-4-yl]-2-tosyl-acrylonitrile Formula: C28H23N3O3S MolecularWeight: 481.56552

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(O1)C=CC(=C2)C3=NN(C=C3C=C(C#N)S(=O)(=O)C4=CC=C(C=C4)C)C5=CC=CC=C5

Isomeric SMILES

CC1CC2=C(O1)C=CC(=C2)C3=NN(C=C3/C=C(\C#N)/S(=O)(=O)C4=CC=C(C=C4)C)C5=CC=CC=C5

InChI

InChI=1S/C28H23N3O3S/c1-19-8-11-25(12-9-19)35(32,33)26(17-29)16-23-18-31(24-6-4-3-5-7-24)30-28(23)21-10-13-27-22(15-21)14-20(2)34-27/h3-13,15-16,18,20H,14H2,1-2H3/b26-16+