1-(3-fluoranyl-4-methylsulfanyl-phenyl)-5-phenyl-3-(trifluoromethyl)-1,2,4-triazole

Systemtic Name: 1-(3-fluoranyl-4-methylsulfanyl-phenyl)-5-phenyl-3-(trifluoromethyl)-1,2,4-triazole Openeye Name: 1-(3-fluoro-4-methylsulfanyl-phenyl)-5-phenyl-3-(trifluoromethyl)-1,2,4-triazole CAS Name: 1-[3-fluoro-4-(methylthio)phenyl]-5-phenyl-3-(trifluoromethyl)-1,2,4-triazole IUPAC Name: 1-(3-fluoro-4-methylsulfanylphenyl)-5-phenyl-3-(trifluoromethyl)-1,2,4-triazole Traditional Name: 1-[3-fluoro-4-(methylthio)phenyl]-5-phenyl-3-(trifluoromethyl)-1,2,4-triazole Formula: C16H11F4N3S MolecularWeight: 353.337253

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)N2C(=NC(=N2)C(F)(F)F)C3=CC=CC=C3)F

Isomeric SMILES

CSC1=C(C=C(C=C1)N2C(=NC(=N2)C(F)(F)F)C3=CC=CC=C3)F

InChI

InChI=1S/C16H11F4N3S/c1-24-13-8-7-11(9-12(13)17)23-14(10-5-3-2-4-6-10)21-15(22-23)16(18,19)20/h2-9H,1H3