2-chloranyl-4-methylsulfonyl-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]benzoyl bromide

Systemtic Name: 2-chloranyl-4-methylsulfonyl-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]benzoyl bromide Openeye Name: 2-chloro-4-methylsulfonyl-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzoyl bromide CAS Name: 2-chloro-4-methylsulfonyl-3-[[(1-methyl-5-tetrazolyl)thio]methyl]benzoyl bromide IUPAC Name: 2-chloro-4-methylsulfonyl-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzoyl bromide Traditional Name: 2-chloro-4-mesyl-3-[[(1-methyltetrazol-5-yl)thio]methyl]benzoyl bromide Formula: C11H10BrClN4O3S2 MolecularWeight: 425.7091

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC2=C(C=CC(=C2Cl)C(=O)Br)S(=O)(=O)C

Isomeric SMILES

CN1C(=NN=N1)SCC2=C(C=CC(=C2Cl)C(=O)Br)S(=O)(=O)C

InChI

InChI=1S/C11H10BrClN4O3S2/c1-17-11(14-15-16-17)21-5-7-8(22(2,19)20)4-3-6(9(7)13)10(12)18/h3-4H,5H2,1-2H3