N-(4-cyano-2-methyl-pyrazol-3-yl)-3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxamide

Systemtic Name: N-(4-cyano-2-methyl-pyrazol-3-yl)-3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxamide Openeye Name: N-(4-cyano-2-methyl-pyrazol-3-yl)-3-(cyclohexylsulfanylmethyl)benzofuran-2-carboxamide CAS Name: N-(4-cyano-2-methyl-3-pyrazolyl)-3-[(cyclohexylthio)methyl]-2-benzofurancarboxamide IUPAC Name: N-(4-cyano-2-methylpyrazol-3-yl)-3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxamide Traditional Name: N-(4-cyano-2-methyl-pyrazol-3-yl)-3-[(cyclohexylthio)methyl]coumarilamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C#N)NC(=O)C2=C(C3=CC=CC=C3O2)CSC4CCCCC4

Isomeric SMILES

CN1C(=C(C=N1)C#N)NC(=O)C2=C(C3=CC=CC=C3O2)CSC4CCCCC4

InChI

InChI=1S/C21H22N4O2S/c1-25-20(14(11-22)12-23-25)24-21(26)19-17(13-28-15-7-3-2-4-8-15)16-9-5-6-10-18(16)27-19/h5-6,9-10,12,15H,2-4,7-8,13H2,1H3,(H,24,26)