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

Systemtic Name: 2-chloranyl-3-[(1-ethyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-4-methylsulfonyl-benzoic acid Openeye Name: 2-chloro-3-[(1-ethyltetrazol-5-yl)sulfanylmethyl]-4-methylsulfonyl-benzoic acid CAS Name: 2-chloro-3-[[(1-ethyl-5-tetrazolyl)thio]methyl]-4-methylsulfonylbenzoic acid IUPAC Name: 2-chloro-3-[(1-ethyltetrazol-5-yl)sulfanylmethyl]-4-methylsulfonylbenzoic acid Traditional Name: 2-chloro-3-[[(1-ethyltetrazol-5-yl)thio]methyl]-4-mesyl-benzoic acid Formula: C12H13ClN4O4S2 MolecularWeight: 376.83902

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=N1)SCC2=C(C=CC(=C2Cl)C(=O)O)S(=O)(=O)C

Isomeric SMILES

CCN1C(=NN=N1)SCC2=C(C=CC(=C2Cl)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C12H13ClN4O4S2/c1-3-17-12(14-15-16-17)22-6-8-9(23(2,20)21)5-4-7(10(8)13)11(18)19/h4-5H,3,6H2,1-2H3,(H,18,19)