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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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