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

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-4-methyl-5-(phenylsulfonylmethyl)-1,2,4-triazole Openeye Name: 3-(benzenesulfonylmethyl)-5-[(4-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazole CAS Name: 3-(benzenesulfonylmethyl)-5-[(4-bromophenyl)methylthio]-4-methyl-1,2,4-triazole IUPAC Name: 3-(benzenesulfonylmethyl)-5-[(4-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazole Traditional Name: 3-(besylmethyl)-5-[(4-bromobenzyl)thio]-4-methyl-1,2,4-triazole Formula: C17H16BrN3O2S2 MolecularWeight: 438.36184

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)Br)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)Br)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H16BrN3O2S2/c1-21-16(12-25(22,23)15-5-3-2-4-6-15)19-20-17(21)24-11-13-7-9-14(18)10-8-13/h2-10H,11-12H2,1H3