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

Systemtic Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazole Openeye Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazole CAS Name: 3-[2-(4-bromophenyl)sulfonylethylthio]-5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazole IUPAC Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazole Traditional Name: 3-(2-brosylethylthio)-5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazole Formula: C21H24BrN3O2S2 MolecularWeight: 494.46816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SCCS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SCCS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H24BrN3O2S2/c1-21(2,3)16-7-5-15(6-8-16)19-23-24-20(25(19)4)28-13-14-29(26,27)18-11-9-17(22)10-12-18/h5-12H,13-14H2,1-4H3