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

Systemtic Name: (Z)-3-[3-(4-butylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-ethyl-prop-2-enamide Openeye Name: (Z)-3-[3-(4-butylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-ethyl-prop-2-enamide CAS Name: (Z)-3-[3-[4-(butylthio)phenyl]-1-phenyl-4-pyrazolyl]-2-cyano-N-ethyl-2-propenamide IUPAC Name: (Z)-3-[3-(4-butylsulfanylphenyl)-1-phenylpyrazol-4-yl]-2-cyano-N-ethylprop-2-enamide Traditional Name: (Z)-3-[3-[4-(butylthio)phenyl]-1-phenyl-pyrazol-4-yl]-2-cyano-N-ethyl-acrylamide Formula: C25H26N4OS MolecularWeight: 430.56514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4OS/c1-3-5-15-31-23-13-11-19(12-14-23)24-21(16-20(17-26)25(30)27-4-2)18-29(28-24)22-9-7-6-8-10-22/h6-14,16,18H,3-5,15H2,1-2H3,(H,27,30)/b20-16-