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

Systemtic Name: ethyl (Z)-2-cyano-3-[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]prop-2-enoate Openeye Name: ethyl (Z)-2-cyano-3-[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]prop-2-enoate CAS Name: (Z)-2-cyano-3-[1-phenyl-3-[4-(propylthio)phenyl]-4-pyrazolyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (Z)-2-cyano-3-[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]prop-2-enoate Traditional Name: (Z)-2-cyano-3-[1-phenyl-3-[4-(propylthio)phenyl]pyrazol-4-yl]acrylic acid ethyl ester Formula: C24H23N3O2S MolecularWeight: 417.52332

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)OCC)C3=CC=CC=C3

Isomeric SMILES

CCCSC1=CC=C(C=C1)C2=NN(C=C2/C=C(/C#N)\C(=O)OCC)C3=CC=CC=C3

InChI

InChI=1S/C24H23N3O2S/c1-3-14-30-22-12-10-18(11-13-22)23-20(15-19(16-25)24(28)29-4-2)17-27(26-23)21-8-6-5-7-9-21/h5-13,15,17H,3-4,14H2,1-2H3/b19-15-