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

Systemtic Name: (Z)-2-cyano-3-[3-(4-ethylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]-N-(oxolan-2-ylmethyl)prop-2-enamide Openeye Name: (Z)-2-cyano-3-[3-(4-ethylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]-N-(tetrahydrofuran-2-ylmethyl)prop-2-enamide CAS Name: (Z)-2-cyano-3-[3-[4-(ethylthio)phenyl]-1-phenyl-4-pyrazolyl]-N-(2-oxolanylmethyl)-2-propenamide IUPAC Name: (Z)-2-cyano-3-[3-(4-ethylsulfanylphenyl)-1-phenylpyrazol-4-yl]-N-(oxolan-2-ylmethyl)prop-2-enamide Traditional Name: (Z)-2-cyano-3-[3-[4-(ethylthio)phenyl]-1-phenyl-pyrazol-4-yl]-N-(tetrahydrofurfuryl)acrylamide Formula: C26H26N4O2S MolecularWeight: 458.57524

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCC3CCCO3)C4=CC=CC=C4

Isomeric SMILES

CCSC1=CC=C(C=C1)C2=NN(C=C2/C=C(/C#N)\C(=O)NCC3CCCO3)C4=CC=CC=C4

InChI

InChI=1S/C26H26N4O2S/c1-2-33-24-12-10-19(11-13-24)25-21(18-30(29-25)22-7-4-3-5-8-22)15-20(16-27)26(31)28-17-23-9-6-14-32-23/h3-5,7-8,10-13,15,18,23H,2,6,9,14,17H2,1H3,(H,28,31)/b20-15-