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

Systemtic Name: 3-(4-chlorophenyl)-N-(4-cyano-5-methylsulfanyl-1-phenyl-pyrazol-3-yl)prop-2-enamide Openeye Name: 3-(4-chlorophenyl)-N-(4-cyano-5-methylsulfanyl-1-phenyl-pyrazol-3-yl)prop-2-enamide CAS Name: 3-(4-chlorophenyl)-N-[4-cyano-5-(methylthio)-1-phenyl-3-pyrazolyl]-2-propenamide IUPAC Name: 3-(4-chlorophenyl)-N-(4-cyano-5-methylsulfanyl-1-phenylpyrazol-3-yl)prop-2-enamide Traditional Name: 3-(4-chlorophenyl)-N-[4-cyano-5-(methylthio)-1-phenyl-pyrazol-3-yl]acrylamide Formula: C20H15ClN4OS MolecularWeight: 394.8773

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=NN1C2=CC=CC=C2)NC(=O)C=CC3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

CSC1=C(C(=NN1C2=CC=CC=C2)NC(=O)C=CC3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C20H15ClN4OS/c1-27-20-17(13-22)19(24-25(20)16-5-3-2-4-6-16)23-18(26)12-9-14-7-10-15(21)11-8-14/h2-12H,1H3,(H,23,24,26)