1-(4-methoxyphenyl)-5-(4-methylsulfanylphenyl)-3-(trifluoromethyl)-1,2,4-triazole

Systemtic Name: 1-(4-methoxyphenyl)-5-(4-methylsulfanylphenyl)-3-(trifluoromethyl)-1,2,4-triazole Openeye Name: 1-(4-methoxyphenyl)-5-(4-methylsulfanylphenyl)-3-(trifluoromethyl)-1,2,4-triazole CAS Name: 1-(4-methoxyphenyl)-5-[4-(methylthio)phenyl]-3-(trifluoromethyl)-1,2,4-triazole IUPAC Name: 1-(4-methoxyphenyl)-5-(4-methylsulfanylphenyl)-3-(trifluoromethyl)-1,2,4-triazole Traditional Name: 1-(4-methoxyphenyl)-5-[4-(methylthio)phenyl]-3-(trifluoromethyl)-1,2,4-triazole Formula: C17H14F3N3OS MolecularWeight: 365.37277

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NC(=N2)C(F)(F)F)C3=CC=C(C=C3)SC

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NC(=N2)C(F)(F)F)C3=CC=C(C=C3)SC

InChI

InChI=1S/C17H14F3N3OS/c1-24-13-7-5-12(6-8-13)23-15(21-16(22-23)17(18,19)20)11-3-9-14(25-2)10-4-11/h3-10H,1-2H3