(E)-2-cyano-3-[3-(4-ethylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[3-(4-ethylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-2-cyano-3-[3-(4-ethylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide CAS Name: (E)-2-cyano-3-[3-[4-(ethylthio)phenyl]-1-phenyl-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-2-cyano-3-[3-(4-ethylsulfanylphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide Traditional Name: (E)-2-cyano-3-[3-[4-(ethylthio)phenyl]-1-phenyl-pyrazol-4-yl]acrylamide Formula: C21H18N4OS MolecularWeight: 374.45882

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)N)C3=CC=CC=C3

Isomeric SMILES

CCSC1=CC=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C21H18N4OS/c1-2-27-19-10-8-15(9-11-19)20-17(12-16(13-22)21(23)26)14-25(24-20)18-6-4-3-5-7-18/h3-12,14H,2H2,1H3,(H2,23,26)/b16-12+