1-[[1-(4-bromophenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-3,3-dimethyl-butan-2-one

Systemtic Name: 1-[[1-(4-bromophenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-3,3-dimethyl-butan-2-one Openeye Name: 1-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-3,3-dimethyl-butan-2-one CAS Name: 1-[[1-(4-bromophenyl)-5-tetrazolyl]thio]-3,3-dimethyl-2-butanone IUPAC Name: 1-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-3,3-dimethylbutan-2-one Traditional Name: 1-[[1-(4-bromophenyl)tetrazol-5-yl]thio]-3,3-dimethyl-butan-2-one Formula: C13H15BrN4OS MolecularWeight: 355.2534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NN=NN1C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NN=NN1C2=CC=C(C=C2)Br

InChI

InChI=1S/C13H15BrN4OS/c1-13(2,3)11(19)8-20-12-15-16-17-18(12)10-6-4-9(14)5-7-10/h4-7H,8H2,1-3H3