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

Systemtic Name: (Z)-2-cyano-3-[3-(4-ethylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]-N-(phenylmethyl)prop-2-enamide Openeye Name: (Z)-N-benzyl-2-cyano-3-[3-(4-ethylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide CAS Name: (Z)-2-cyano-3-[3-[4-(ethylthio)phenyl]-1-phenyl-4-pyrazolyl]-N-(phenylmethyl)-2-propenamide IUPAC Name: (Z)-N-benzyl-2-cyano-3-[3-(4-ethylsulfanylphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide Traditional Name: (Z)-N-benzyl-2-cyano-3-[3-[4-(ethylthio)phenyl]-1-phenyl-pyrazol-4-yl]acrylamide Formula: C28H24N4OS MolecularWeight: 464.58136

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCSC1=CC=C(C=C1)C2=NN(C=C2/C=C(/C#N)\C(=O)NCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H24N4OS/c1-2-34-26-15-13-22(14-16-26)27-24(20-32(31-27)25-11-7-4-8-12-25)17-23(18-29)28(33)30-19-21-9-5-3-6-10-21/h3-17,20H,2,19H2,1H3,(H,30,33)/b23-17-