3-[2-(4-bromanylphenoxy)ethylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-[2-(4-bromanylphenoxy)ethylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine Openeye Name: 3-[2-(4-bromophenoxy)ethylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine CAS Name: 3-[2-(4-bromophenoxy)ethylthio]-5-(trifluoromethyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[2-(4-bromophenoxy)ethylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine Traditional Name: [3-[2-(4-bromophenoxy)ethylthio]-5-(trifluoromethyl)-1,2,4-triazol-4-yl]amine Formula: C11H10BrF3N4OS MolecularWeight: 383.18751

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCCSC2=NN=C(N2N)C(F)(F)F)Br

Isomeric SMILES

C1=CC(=CC=C1OCCSC2=NN=C(N2N)C(F)(F)F)Br

InChI

InChI=1S/C11H10BrF3N4OS/c12-7-1-3-8(4-2-7)20-5-6-21-10-18-17-9(19(10)16)11(13,14)15/h1-4H,5-6,16H2