ethyl (Z)-3-[3-(4-butylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-prop-2-enoate

Systemtic Name: ethyl (Z)-3-[3-(4-butylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-prop-2-enoate Openeye Name: ethyl (Z)-3-[3-(4-butylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-prop-2-enoate CAS Name: (Z)-3-[3-[4-(butylthio)phenyl]-1-phenyl-4-pyrazolyl]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (Z)-3-[3-(4-butylsulfanylphenyl)-1-phenylpyrazol-4-yl]-2-cyanoprop-2-enoate Traditional Name: (Z)-3-[3-[4-(butylthio)phenyl]-1-phenyl-pyrazol-4-yl]-2-cyano-acrylic acid ethyl ester Formula: C25H25N3O2S MolecularWeight: 431.5499

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)OCC)C3=CC=CC=C3

Isomeric SMILES

CCCCSC1=CC=C(C=C1)C2=NN(C=C2/C=C(/C#N)\C(=O)OCC)C3=CC=CC=C3

InChI

InChI=1S/C25H25N3O2S/c1-3-5-15-31-23-13-11-19(12-14-23)24-21(16-20(17-26)25(29)30-4-2)18-28(27-24)22-9-7-6-8-10-22/h6-14,16,18H,3-5,15H2,1-2H3/b20-16-