S-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl] 4-methylbenzenecarbothioate

Systemtic Name: S-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl] 4-methylbenzenecarbothioate Openeye Name: S-[3-chloro-5-(trifluoromethyl)-2-pyridyl] 4-methylbenzenecarbothioate CAS Name: 4-methylbenzenecarbothioic acid S-[3-chloro-5-(trifluoromethyl)-2-pyridinyl] ester IUPAC Name: S-[3-chloro-5-(trifluoromethyl)pyridin-2-yl] 4-methylbenzenecarbothioate Traditional Name: 4-methylthiobenzoic acid S-[3-chloro-5-(trifluoromethyl)-2-pyridyl] ester Formula: C14H9ClF3NOS MolecularWeight: 331.74057

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)SC2=C(C=C(C=N2)C(F)(F)F)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)SC2=C(C=C(C=N2)C(F)(F)F)Cl

InChI

InChI=1S/C14H9ClF3NOS/c1-8-2-4-9(5-3-8)13(20)21-12-11(15)6-10(7-19-12)14(16,17)18/h2-7H,1H3