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

Systemtic Name: 3-(4-tert-butylphenyl)-N-(4-cyano-5-methylsulfanyl-1-phenyl-pyrazol-3-yl)prop-2-enamide Openeye Name: 3-(4-tert-butylphenyl)-N-(4-cyano-5-methylsulfanyl-1-phenyl-pyrazol-3-yl)prop-2-enamide CAS Name: 3-(4-tert-butylphenyl)-N-[4-cyano-5-(methylthio)-1-phenyl-3-pyrazolyl]-2-propenamide IUPAC Name: 3-(4-tert-butylphenyl)-N-(4-cyano-5-methylsulfanyl-1-phenylpyrazol-3-yl)prop-2-enamide Traditional Name: 3-(4-tert-butylphenyl)-N-[4-cyano-5-(methylthio)-1-phenyl-pyrazol-3-yl]acrylamide Formula: C24H24N4OS MolecularWeight: 416.53856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C=CC(=O)NC2=NN(C(=C2C#N)SC)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C=CC(=O)NC2=NN(C(=C2C#N)SC)C3=CC=CC=C3

InChI

InChI=1S/C24H24N4OS/c1-24(2,3)18-13-10-17(11-14-18)12-15-21(29)26-22-20(16-25)23(30-4)28(27-22)19-8-6-5-7-9-19/h5-15H,1-4H3,(H,26,27,29)