3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-5-[(4-fluoranylphenoxy)methyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-5-[(4-fluoranylphenoxy)methyl]-1,2,4-triazol-4-amine Openeye Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-4-amine CAS Name: 3-[2-(4-bromophenyl)sulfonylethylthio]-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-4-amine IUPAC Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-4-amine Traditional Name: [3-(2-brosylethylthio)-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-4-yl]amine Formula: C17H16BrFN4O3S2 MolecularWeight: 487.366343

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCC2=NN=C(N2N)SCCS(=O)(=O)C3=CC=C(C=C3)Br)F

Isomeric SMILES

C1=CC(=CC=C1OCC2=NN=C(N2N)SCCS(=O)(=O)C3=CC=C(C=C3)Br)F

InChI

InChI=1S/C17H16BrFN4O3S2/c18-12-1-7-15(8-2-12)28(24,25)10-9-27-17-22-21-16(23(17)20)11-26-14-5-3-13(19)4-6-14/h1-8H,9-11,20H2