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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC2=CC=CC=C2)SCCS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)SCCS(=O)(=O)C3=CC=C(C=C3)Br

InChI

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