3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-4-methyl-5-(phenylmethyl)-1,2,4-triazole

Systemtic Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-4-methyl-5-(phenylmethyl)-1,2,4-triazole Openeye Name: 3-benzyl-5-[2-(4-bromophenyl)sulfonylethylsulfanyl]-4-methyl-1,2,4-triazole CAS Name: 3-[2-(4-bromophenyl)sulfonylethylthio]-4-methyl-5-(phenylmethyl)-1,2,4-triazole IUPAC Name: 3-benzyl-5-[2-(4-bromophenyl)sulfonylethylsulfanyl]-4-methyl-1,2,4-triazole Traditional Name: 3-benzyl-5-(2-brosylethylthio)-4-methyl-1,2,4-triazole Formula: C18H18BrN3O2S2 MolecularWeight: 452.38842

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCS(=O)(=O)C2=CC=C(C=C2)Br)CC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCCS(=O)(=O)C2=CC=C(C=C2)Br)CC3=CC=CC=C3

InChI

InChI=1S/C18H18BrN3O2S2/c1-22-17(13-14-5-3-2-4-6-14)20-21-18(22)25-11-12-26(23,24)16-9-7-15(19)8-10-16/h2-10H,11-13H2,1H3