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

Systemtic Name: (E)-3-[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: (E)-3-[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: (E)-3-[3-(4-hexoxyphenyl)-1-phenyl-4-pyrazolyl]-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: (E)-3-[3-(4-hexoxyphenyl)-1-phenylpyrazol-4-yl]-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: (E)-3-[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-tosyl-acrylonitrile Formula: C31H31N3O3S MolecularWeight: 525.66114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=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

CCCCCCOC1=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/C31H31N3O3S/c1-3-4-5-9-20-37-28-16-14-25(15-17-28)31-26(23-34(33-31)27-10-7-6-8-11-27)21-30(22-32)38(35,36)29-18-12-24(2)13-19-29/h6-8,10-19,21,23H,3-5,9,20H2,1-2H3/b30-21+