3-(4-tert-butylphenyl)-N-(4-cyano-5-ethylsulfanyl-1-phenyl-pyrazol-3-yl)prop-2-enamide

Systemtic Name: 3-(4-tert-butylphenyl)-N-(4-cyano-5-ethylsulfanyl-1-phenyl-pyrazol-3-yl)prop-2-enamide Openeye Name: 3-(4-tert-butylphenyl)-N-(4-cyano-5-ethylsulfanyl-1-phenyl-pyrazol-3-yl)prop-2-enamide CAS Name: 3-(4-tert-butylphenyl)-N-[4-cyano-5-(ethylthio)-1-phenyl-3-pyrazolyl]-2-propenamide IUPAC Name: 3-(4-tert-butylphenyl)-N-(4-cyano-5-ethylsulfanyl-1-phenylpyrazol-3-yl)prop-2-enamide Traditional Name: 3-(4-tert-butylphenyl)-N-[4-cyano-5-(ethylthio)-1-phenyl-pyrazol-3-yl]acrylamide Formula: C25H26N4OS MolecularWeight: 430.56514

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C(=NN1C2=CC=CC=C2)NC(=O)C=CC3=CC=C(C=C3)C(C)(C)C)C#N

Isomeric SMILES

CCSC1=C(C(=NN1C2=CC=CC=C2)NC(=O)C=CC3=CC=C(C=C3)C(C)(C)C)C#N

InChI

InChI=1S/C25H26N4OS/c1-5-31-24-21(17-26)23(28-29(24)20-9-7-6-8-10-20)27-22(30)16-13-18-11-14-19(15-12-18)25(2,3)4/h6-16H,5H2,1-4H3,(H,27,28,30)