1-methyl-3-(2-methylsulfanylphenyl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole

Systemtic Name: 1-methyl-3-(2-methylsulfanylphenyl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole Openeye Name: 1-methyl-3-(2-methylsulfanylphenyl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole CAS Name: 1-methyl-3-[2-(methylthio)phenyl]-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole IUPAC Name: 1-methyl-3-(2-methylsulfanylphenyl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole Traditional Name: 1-methyl-3-[2-(methylthio)phenyl]-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole Formula: C17H14F3N3S MolecularWeight: 349.37337

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=N1)C2=CC=CC=C2SC)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CN1C(=NC(=N1)C2=CC=CC=C2SC)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C17H14F3N3S/c1-23-16(11-7-3-5-9-13(11)17(18,19)20)21-15(22-23)12-8-4-6-10-14(12)24-2/h3-10H,1-2H3