5-[[(R)-(4-bromophenyl)methylsulfinyl]methyl]-4-ethyl-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[[(R)-(4-bromophenyl)methylsulfinyl]methyl]-4-ethyl-1,2,4-triazole-3-thiolate Openeye Name: 5-[[(R)-(4-bromophenyl)methylsulfinyl]methyl]-4-ethyl-1,2,4-triazole-3-thiolate CAS Name: 5-[[(R)-(4-bromophenyl)methylsulfinyl]methyl]-4-ethyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-[[(R)-(4-bromophenyl)methylsulfinyl]methyl]-4-ethyl-1,2,4-triazole-3-thiolate Traditional Name: 5-[[(R)-(4-bromobenzyl)sulfinyl]methyl]-4-ethyl-1,2,4-triazole-3-thiolate Formula: C12H13BrN3OS2- MolecularWeight: 359.28512

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1[S-])CS(=O)CC2=CC=C(C=C2)Br

Isomeric SMILES

CCN1C(=NN=C1[S-])C[S@](=O)CC2=CC=C(C=C2)Br

InChI

InChI=1S/C12H14BrN3OS2/c1-2-16-11(14-15-12(16)18)8-19(17)7-9-3-5-10(13)6-4-9/h3-6H,2,7-8H2,1H3,(H,15,18)/p-1/t19-/m1/s1