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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2C3=CC=C(C=C3)SC)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2C3=CC=C(C=C3)SC)C(F)(F)F

InChI

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