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

Systemtic Name: 2-chloranyl-3-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-4-methylsulfonyl-benzoyl bromide Openeye Name: 2-chloro-3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-4-methylsulfonyl-benzoyl bromide CAS Name: 2-chloro-3-[[(1-cyclopropyl-5-tetrazolyl)thio]methyl]-4-methylsulfonylbenzoyl bromide IUPAC Name: 2-chloro-3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-4-methylsulfonylbenzoyl bromide Traditional Name: 2-chloro-3-[[(1-cyclopropyltetrazol-5-yl)thio]methyl]-4-mesyl-benzoyl bromide Formula: C13H12BrClN4O3S2 MolecularWeight: 451.74638

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)Br)Cl)CSC2=NN=NN2C3CC3

Isomeric SMILES

CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)Br)Cl)CSC2=NN=NN2C3CC3

InChI

InChI=1S/C13H12BrClN4O3S2/c1-24(21,22)10-5-4-8(12(14)20)11(15)9(10)6-23-13-16-17-18-19(13)7-2-3-7/h4-5,7H,2-3,6H2,1H3