3-[(3-fluorophenyl)methylsulfanyl]-4-methyl-5-(trifluoromethyl)-1,2,4-triazole

Systemtic Name: 3-[(3-fluorophenyl)methylsulfanyl]-4-methyl-5-(trifluoromethyl)-1,2,4-triazole Openeye Name: 3-[(3-fluorophenyl)methylsulfanyl]-4-methyl-5-(trifluoromethyl)-1,2,4-triazole CAS Name: 3-[(3-fluorophenyl)methylthio]-4-methyl-5-(trifluoromethyl)-1,2,4-triazole IUPAC Name: 3-[(3-fluorophenyl)methylsulfanyl]-4-methyl-5-(trifluoromethyl)-1,2,4-triazole Traditional Name: 3-[(3-fluorobenzyl)thio]-4-methyl-5-(trifluoromethyl)-1,2,4-triazole Formula: C11H9F4N3S MolecularWeight: 291.267873

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC(=CC=C2)F)C(F)(F)F

Isomeric SMILES

CN1C(=NN=C1SCC2=CC(=CC=C2)F)C(F)(F)F

InChI

InChI=1S/C11H9F4N3S/c1-18-9(11(13,14)15)16-17-10(18)19-6-7-3-2-4-8(12)5-7/h2-5H,6H2,1H3