N-(4-cyano-5-ethylsulfanyl-1-phenyl-pyrazol-3-yl)-1-benzofuran-2-carboxamide

Systemtic Name: N-(4-cyano-5-ethylsulfanyl-1-phenyl-pyrazol-3-yl)-1-benzofuran-2-carboxamide Openeye Name: N-(4-cyano-5-ethylsulfanyl-1-phenyl-pyrazol-3-yl)benzofuran-2-carboxamide CAS Name: N-[4-cyano-5-(ethylthio)-1-phenyl-3-pyrazolyl]-2-benzofurancarboxamide IUPAC Name: N-(4-cyano-5-ethylsulfanyl-1-phenylpyrazol-3-yl)-1-benzofuran-2-carboxamide Traditional Name: N-[4-cyano-5-(ethylthio)-1-phenyl-pyrazol-3-yl]coumarilamide Formula: C21H16N4O2S MolecularWeight: 388.44234

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C(=NN1C2=CC=CC=C2)NC(=O)C3=CC4=CC=CC=C4O3)C#N

Isomeric SMILES

CCSC1=C(C(=NN1C2=CC=CC=C2)NC(=O)C3=CC4=CC=CC=C4O3)C#N

InChI

InChI=1S/C21H16N4O2S/c1-2-28-21-16(13-22)19(24-25(21)15-9-4-3-5-10-15)23-20(26)18-12-14-8-6-7-11-17(14)27-18/h3-12H,2H2,1H3,(H,23,24,26)