N-[5-[(2-chlorophenyl)methylsulfanyl]-4-cyano-2-phenyl-pyrazol-3-yl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[5-[(2-chlorophenyl)methylsulfanyl]-4-cyano-2-phenyl-pyrazol-3-yl]-1-benzofuran-2-carboxamide Openeye Name: N-[5-[(2-chlorophenyl)methylsulfanyl]-4-cyano-2-phenyl-pyrazol-3-yl]benzofuran-2-carboxamide CAS Name: N-[5-[(2-chlorophenyl)methylthio]-4-cyano-2-phenyl-3-pyrazolyl]-2-benzofurancarboxamide IUPAC Name: N-[5-[(2-chlorophenyl)methylsulfanyl]-4-cyano-2-phenylpyrazol-3-yl]-1-benzofuran-2-carboxamide Traditional Name: N-[5-[(2-chlorobenzyl)thio]-4-cyano-2-phenyl-pyrazol-3-yl]coumarilamide Formula: C26H17ClN4O2S MolecularWeight: 484.95678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C(=N2)SCC3=CC=CC=C3Cl)C#N)NC(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C(=N2)SCC3=CC=CC=C3Cl)C#N)NC(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C26H17ClN4O2S/c27-21-12-6-4-9-18(21)16-34-26-20(15-28)24(31(30-26)19-10-2-1-3-11-19)29-25(32)23-14-17-8-5-7-13-22(17)33-23/h1-14H,16H2,(H,29,32)