N-(4-cyano-5-methylsulfanyl-1-phenyl-pyrazol-3-yl)-4-fluoranyl-benzamide

Systemtic Name: N-(4-cyano-5-methylsulfanyl-1-phenyl-pyrazol-3-yl)-4-fluoranyl-benzamide Openeye Name: N-(4-cyano-5-methylsulfanyl-1-phenyl-pyrazol-3-yl)-4-fluoro-benzamide CAS Name: N-[4-cyano-5-(methylthio)-1-phenyl-3-pyrazolyl]-4-fluorobenzamide IUPAC Name: N-(4-cyano-5-methylsulfanyl-1-phenylpyrazol-3-yl)-4-fluorobenzamide Traditional Name: N-[4-cyano-5-(methylthio)-1-phenyl-pyrazol-3-yl]-4-fluoro-benzamide Formula: C18H13FN4OS MolecularWeight: 352.385423

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=NN1C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)F)C#N

Isomeric SMILES

CSC1=C(C(=NN1C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)F)C#N

InChI

InChI=1S/C18H13FN4OS/c1-25-18-15(11-20)16(22-23(18)14-5-3-2-4-6-14)21-17(24)12-7-9-13(19)10-8-12/h2-10H,1H3,(H,21,22,24)