N-[4-cyano-3-(phenylmethylsulfanyl)-1H-pyrazol-5-yl]-4-fluoranyl-benzamide

Systemtic Name: N-[4-cyano-3-(phenylmethylsulfanyl)-1H-pyrazol-5-yl]-4-fluoranyl-benzamide Openeye Name: N-(3-benzylsulfanyl-4-cyano-1H-pyrazol-5-yl)-4-fluoro-benzamide CAS Name: N-[4-cyano-3-(phenylmethylthio)-1H-pyrazol-5-yl]-4-fluorobenzamide IUPAC Name: N-(3-benzylsulfanyl-4-cyano-1H-pyrazol-5-yl)-4-fluorobenzamide Traditional Name: N-[3-(benzylthio)-4-cyano-1H-pyrazol-5-yl]-4-fluoro-benzamide Formula: C18H13FN4OS MolecularWeight: 352.385423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13FN4OS/c19-14-8-6-13(7-9-14)17(24)21-16-15(10-20)18(23-22-16)25-11-12-4-2-1-3-5-12/h1-9H,11H2,(H2,21,22,23,24)