S-[5-(4-chlorophenyl)-3-methylsulfanyl-1H-pyrazol-4-yl] 2,6-bis(fluoranyl)benzenecarbothioate

Systemtic Name: S-[5-(4-chlorophenyl)-3-methylsulfanyl-1H-pyrazol-4-yl] 2,6-bis(fluoranyl)benzenecarbothioate Openeye Name: S-[5-(4-chlorophenyl)-3-methylsulfanyl-1H-pyrazol-4-yl] 2,6-difluorobenzenecarbothioate CAS Name: 2,6-difluorobenzenecarbothioic acid S-[5-(4-chlorophenyl)-3-(methylthio)-1H-pyrazol-4-yl] ester IUPAC Name: S-[5-(4-chlorophenyl)-3-methylsulfanyl-1H-pyrazol-4-yl] 2,6-difluorobenzenecarbothioate Traditional Name: 2,6-difluorothiobenzoic acid S-[5-(4-chlorophenyl)-3-(methylthio)-1H-pyrazol-4-yl] ester Formula: C17H11ClF2N2OS2 MolecularWeight: 396.861846

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NNC(=C1SC(=O)C2=C(C=CC=C2F)F)C3=CC=C(C=C3)Cl

Isomeric SMILES

CSC1=NNC(=C1SC(=O)C2=C(C=CC=C2F)F)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H11ClF2N2OS2/c1-24-16-15(14(21-22-16)9-5-7-10(18)8-6-9)25-17(23)13-11(19)3-2-4-12(13)20/h2-8H,1H3,(H,21,22)