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

Systemtic Name: (E)-3-[3-(4-butoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: (E)-3-[3-(4-butoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: (E)-3-[3-(4-butoxyphenyl)-1-phenyl-4-pyrazolyl]-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: (E)-3-[3-(4-butoxyphenyl)-1-phenylpyrazol-4-yl]-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: (E)-3-[3-(4-butoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-tosyl-acrylonitrile Formula: C29H27N3O3S MolecularWeight: 497.60798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)S(=O)(=O)C3=CC=C(C=C3)C)C4=CC=CC=C4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NN(C=C2/C=C(\C#N)/S(=O)(=O)C3=CC=C(C=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C29H27N3O3S/c1-3-4-18-35-26-14-12-23(13-15-26)29-24(21-32(31-29)25-8-6-5-7-9-25)19-28(20-30)36(33,34)27-16-10-22(2)11-17-27/h5-17,19,21H,3-4,18H2,1-2H3/b28-19+