(E)-3-[3-(7-methoxy-1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[3-(7-methoxy-1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: (E)-3-[3-(7-methoxybenzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: (E)-3-[3-(7-methoxy-2-benzofuranyl)-1-phenyl-4-pyrazolyl]-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: (E)-3-[3-(7-methoxy-1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: (E)-3-[3-(7-methoxybenzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-2-tosyl-acrylonitrile Formula: C28H21N3O4S MolecularWeight: 495.54904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=CN(N=C2C3=CC4=C(O3)C(=CC=C4)OC)C5=CC=CC=C5)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C(=C/C2=CN(N=C2C3=CC4=C(O3)C(=CC=C4)OC)C5=CC=CC=C5)/C#N

InChI

InChI=1S/C28H21N3O4S/c1-19-11-13-23(14-12-19)36(32,33)24(17-29)15-21-18-31(22-8-4-3-5-9-22)30-27(21)26-16-20-7-6-10-25(34-2)28(20)35-26/h3-16,18H,1-2H3/b24-15+