methyl 2-[(3-methylphenyl)methylsulfanyl]-5-(trifluoromethyl)benzoate

Systemtic Name: methyl 2-[(3-methylphenyl)methylsulfanyl]-5-(trifluoromethyl)benzoate Openeye Name: methyl 2-(m-tolylmethylsulfanyl)-5-(trifluoromethyl)benzoate CAS Name: 2-[(3-methylphenyl)methylthio]-5-(trifluoromethyl)benzoic acid methyl ester IUPAC Name: methyl 2-[(3-methylphenyl)methylsulfanyl]-5-(trifluoromethyl)benzoate Traditional Name: 2-[(3-methylbenzyl)thio]-5-(trifluoromethyl)benzoic acid methyl ester Formula: C17H15F3O2S MolecularWeight: 340.36001

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=C(C=C(C=C2)C(F)(F)F)C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=C(C=C(C=C2)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C17H15F3O2S/c1-11-4-3-5-12(8-11)10-23-15-7-6-13(17(18,19)20)9-14(15)16(21)22-2/h3-9H,10H2,1-2H3