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

Systemtic Name: 2-cyano-3-[3-(4-ethylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]-N-methyl-prop-2-enamide Openeye Name: 2-cyano-3-[3-(4-ethylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]-N-methyl-prop-2-enamide CAS Name: 2-cyano-3-[3-[4-(ethylthio)phenyl]-1-phenyl-4-pyrazolyl]-N-methyl-2-propenamide IUPAC Name: 2-cyano-3-[3-(4-ethylsulfanylphenyl)-1-phenylpyrazol-4-yl]-N-methylprop-2-enamide Traditional Name: 2-cyano-3-[3-[4-(ethylthio)phenyl]-1-phenyl-pyrazol-4-yl]-N-methyl-acrylamide Formula: C22H20N4OS MolecularWeight: 388.4854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4OS/c1-3-28-20-11-9-16(10-12-20)21-18(13-17(14-23)22(27)24-2)15-26(25-21)19-7-5-4-6-8-19/h4-13,15H,3H2,1-2H3,(H,24,27)