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

Systemtic Name: N-[4-cyano-3-(phenylmethylsulfanyl)-1H-pyrazol-5-yl]-1-benzofuran-2-carboxamide Openeye Name: N-(3-benzylsulfanyl-4-cyano-1H-pyrazol-5-yl)benzofuran-2-carboxamide CAS Name: N-[4-cyano-3-(phenylmethylthio)-1H-pyrazol-5-yl]-2-benzofurancarboxamide IUPAC Name: N-(3-benzylsulfanyl-4-cyano-1H-pyrazol-5-yl)-1-benzofuran-2-carboxamide Traditional Name: N-[3-(benzylthio)-4-cyano-1H-pyrazol-5-yl]coumarilamide Formula: C20H14N4O2S MolecularWeight: 374.41576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NNC(=C2C#N)NC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NNC(=C2C#N)NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C20H14N4O2S/c21-11-15-18(23-24-20(15)27-12-13-6-2-1-3-7-13)22-19(25)17-10-14-8-4-5-9-16(14)26-17/h1-10H,12H2,(H2,22,23,24,25)