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

Systemtic Name: N-[3-[(2-chlorophenyl)methylsulfanyl]-4-cyano-1H-pyrazol-5-yl]-1-benzofuran-2-carboxamide Openeye Name: N-[3-[(2-chlorophenyl)methylsulfanyl]-4-cyano-1H-pyrazol-5-yl]benzofuran-2-carboxamide CAS Name: N-[3-[(2-chlorophenyl)methylthio]-4-cyano-1H-pyrazol-5-yl]-2-benzofurancarboxamide IUPAC Name: N-[3-[(2-chlorophenyl)methylsulfanyl]-4-cyano-1H-pyrazol-5-yl]-1-benzofuran-2-carboxamide Traditional Name: N-[3-[(2-chlorobenzyl)thio]-4-cyano-1H-pyrazol-5-yl]coumarilamide Formula: C20H13ClN4O2S MolecularWeight: 408.86082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(O2)C(=O)NC3=C(C(=NN3)SCC4=CC=CC=C4Cl)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C=C(O2)C(=O)NC3=C(C(=NN3)SCC4=CC=CC=C4Cl)C#N

InChI

InChI=1S/C20H13ClN4O2S/c21-15-7-3-1-6-13(15)11-28-20-14(10-22)18(24-25-20)23-19(26)17-9-12-5-2-4-8-16(12)27-17/h1-9H,11H2,(H2,23,24,25,26)