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

Systemtic Name: 3-(2-bromophenyl)-4-methyl-5-[4-methylsulfanyl-2-(trifluoromethyl)phenyl]-1,2,4-triazole Openeye Name: 3-(2-bromophenyl)-4-methyl-5-[4-methylsulfanyl-2-(trifluoromethyl)phenyl]-1,2,4-triazole CAS Name: 3-(2-bromophenyl)-4-methyl-5-[4-(methylthio)-2-(trifluoromethyl)phenyl]-1,2,4-triazole IUPAC Name: 3-(2-bromophenyl)-4-methyl-5-[4-methylsulfanyl-2-(trifluoromethyl)phenyl]-1,2,4-triazole Traditional Name: 3-(2-bromophenyl)-4-methyl-5-[4-(methylthio)-2-(trifluoromethyl)phenyl]-1,2,4-triazole Formula: C17H13BrF3N3S MolecularWeight: 428.26943

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1C2=CC=CC=C2Br)C3=C(C=C(C=C3)SC)C(F)(F)F

Isomeric SMILES

CN1C(=NN=C1C2=CC=CC=C2Br)C3=C(C=C(C=C3)SC)C(F)(F)F

InChI

InChI=1S/C17H13BrF3N3S/c1-24-15(22-23-16(24)12-5-3-4-6-14(12)18)11-8-7-10(25-2)9-13(11)17(19,20)21/h3-9H,1-2H3