S-tert-butyl 2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylsulfanyl]pyridine-3-carbothioate

Systemtic Name: S-tert-butyl 2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylsulfanyl]pyridine-3-carbothioate Openeye Name: S-tert-butyl 2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylsulfanyl]pyridine-3-carbothioate CAS Name: 2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylthio]-3-pyridinecarbothioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl 2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylsulfanyl]pyridine-3-carbothioate Traditional Name: 2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylthio]pyridine-3-carbothioic acid S-tert-butyl ester Formula: C19H20F3NO3S3 MolecularWeight: 463.55721

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC(=O)C1=C(N=CC=C1)SCCS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CC(C)(C)SC(=O)C1=C(N=CC=C1)SCCS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C19H20F3NO3S3/c1-18(2,3)28-17(24)15-8-5-9-23-16(15)27-10-11-29(25,26)14-7-4-6-13(12-14)19(20,21)22/h4-9,12H,10-11H2,1-3H3