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

Systemtic Name: 2-chloranyl-4-methylsulfonyl-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]benzoic acid Openeye Name: 2-chloro-4-methylsulfonyl-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzoic acid CAS Name: 2-chloro-4-methylsulfonyl-3-[[(1-methyl-5-tetrazolyl)thio]methyl]benzoic acid IUPAC Name: 2-chloro-4-methylsulfonyl-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzoic acid Traditional Name: 2-chloro-4-mesyl-3-[[(1-methyltetrazol-5-yl)thio]methyl]benzoic acid Formula: C11H11ClN4O4S2 MolecularWeight: 362.81244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11ClN4O4S2/c1-16-11(13-14-15-16)21-5-7-8(22(2,19)20)4-3-6(9(7)12)10(17)18/h3-4H,5H2,1-2H3,(H,17,18)