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

Systemtic Name: 5-(3-bromophenyl)-1-(4-methylsulfanylphenyl)-3-(trifluoromethyl)-1,2,4-triazole Openeye Name: 5-(3-bromophenyl)-1-(4-methylsulfanylphenyl)-3-(trifluoromethyl)-1,2,4-triazole CAS Name: 5-(3-bromophenyl)-1-[4-(methylthio)phenyl]-3-(trifluoromethyl)-1,2,4-triazole IUPAC Name: 5-(3-bromophenyl)-1-(4-methylsulfanylphenyl)-3-(trifluoromethyl)-1,2,4-triazole Traditional Name: 5-(3-bromophenyl)-1-[4-(methylthio)phenyl]-3-(trifluoromethyl)-1,2,4-triazole Formula: C16H11BrF3N3S MolecularWeight: 414.24285

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11BrF3N3S/c1-24-13-7-5-12(6-8-13)23-14(10-3-2-4-11(17)9-10)21-15(22-23)16(18,19)20/h2-9H,1H3