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

Systemtic Name: N-[3-[(2-chlorophenyl)methylsulfanyl]-4-cyano-1H-pyrazol-5-yl]-4-fluoranyl-benzamide Openeye Name: N-[3-[(2-chlorophenyl)methylsulfanyl]-4-cyano-1H-pyrazol-5-yl]-4-fluoro-benzamide CAS Name: N-[3-[(2-chlorophenyl)methylthio]-4-cyano-1H-pyrazol-5-yl]-4-fluorobenzamide IUPAC Name: N-[3-[(2-chlorophenyl)methylsulfanyl]-4-cyano-1H-pyrazol-5-yl]-4-fluorobenzamide Traditional Name: N-[3-[(2-chlorobenzyl)thio]-4-cyano-1H-pyrazol-5-yl]-4-fluoro-benzamide Formula: C18H12ClFN4OS MolecularWeight: 386.830483

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H12ClFN4OS/c19-15-4-2-1-3-12(15)10-26-18-14(9-21)16(23-24-18)22-17(25)11-5-7-13(20)8-6-11/h1-8H,10H2,(H2,22,23,24,25)