5-[2-(4-bromophenyl)sulfonylethylsulfanyl]-1-tert-butyl-1,2,3,4-tetrazole

Systemtic Name: 5-[2-(4-bromophenyl)sulfonylethylsulfanyl]-1-tert-butyl-1,2,3,4-tetrazole Openeye Name: 5-[2-(4-bromophenyl)sulfonylethylsulfanyl]-1-tert-butyl-tetrazole CAS Name: 5-[2-(4-bromophenyl)sulfonylethylthio]-1-tert-butyltetrazole IUPAC Name: 5-[2-(4-bromophenyl)sulfonylethylsulfanyl]-1-tert-butyltetrazole Traditional Name: 5-(2-brosylethylthio)-1-tert-butyl-tetrazole Formula: C13H17BrN4O2S2 MolecularWeight: 405.33368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=NN=N1)SCCS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)(C)N1C(=NN=N1)SCCS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C13H17BrN4O2S2/c1-13(2,3)18-12(15-16-17-18)21-8-9-22(19,20)11-6-4-10(14)5-7-11/h4-7H,8-9H2,1-3H3