3-[(4-methylphenyl)methylsulfanyl]-5-(trifluoromethyl)-1H-1,2,4-triazole

Systemtic Name: 3-[(4-methylphenyl)methylsulfanyl]-5-(trifluoromethyl)-1H-1,2,4-triazole Openeye Name: 3-(p-tolylmethylsulfanyl)-5-(trifluoromethyl)-1H-1,2,4-triazole CAS Name: 3-[(4-methylphenyl)methylthio]-5-(trifluoromethyl)-1H-1,2,4-triazole IUPAC Name: 3-[(4-methylphenyl)methylsulfanyl]-5-(trifluoromethyl)-1H-1,2,4-triazole Traditional Name: 3-[(4-methylbenzyl)thio]-5-(trifluoromethyl)-1H-1,2,4-triazole Formula: C11H10F3N3S MolecularWeight: 273.27741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NNC(=N2)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NNC(=N2)C(F)(F)F

InChI

InChI=1S/C11H10F3N3S/c1-7-2-4-8(5-3-7)6-18-10-15-9(16-17-10)11(12,13)14/h2-5H,6H2,1H3,(H,15,16,17)