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

Systemtic Name: 3-(4-chlorophenyl)-N-(4-cyano-5-ethylsulfanyl-1-phenyl-pyrazol-3-yl)prop-2-enamide Openeye Name: 3-(4-chlorophenyl)-N-(4-cyano-5-ethylsulfanyl-1-phenyl-pyrazol-3-yl)prop-2-enamide CAS Name: 3-(4-chlorophenyl)-N-[4-cyano-5-(ethylthio)-1-phenyl-3-pyrazolyl]-2-propenamide IUPAC Name: 3-(4-chlorophenyl)-N-(4-cyano-5-ethylsulfanyl-1-phenylpyrazol-3-yl)prop-2-enamide Traditional Name: 3-(4-chlorophenyl)-N-[4-cyano-5-(ethylthio)-1-phenyl-pyrazol-3-yl]acrylamide Formula: C21H17ClN4OS MolecularWeight: 408.90388

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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)Cl)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN4OS/c1-2-28-21-18(14-23)20(25-26(21)17-6-4-3-5-7-17)24-19(27)13-10-15-8-11-16(22)12-9-15/h3-13H,2H2,1H3,(H,24,25,27)