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

Systemtic Name: (Z)-3-[3-(4-butylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-N-prop-2-enyl-prop-2-enamide Openeye Name: (Z)-N-allyl-3-[3-(4-butylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-prop-2-enamide CAS Name: (Z)-3-[3-[4-(butylthio)phenyl]-1-phenyl-4-pyrazolyl]-2-cyano-N-prop-2-enyl-2-propenamide IUPAC Name: (Z)-3-[3-(4-butylsulfanylphenyl)-1-phenylpyrazol-4-yl]-2-cyano-N-prop-2-enylprop-2-enamide Traditional Name: (Z)-N-allyl-3-[3-[4-(butylthio)phenyl]-1-phenyl-pyrazol-4-yl]-2-cyano-acrylamide Formula: C26H26N4OS MolecularWeight: 442.57584

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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=C)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C26H26N4OS/c1-3-5-16-32-24-13-11-20(12-14-24)25-22(17-21(18-27)26(31)28-15-4-2)19-30(29-25)23-9-7-6-8-10-23/h4,6-14,17,19H,2-3,5,15-16H2,1H3,(H,28,31)/b21-17-