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

Systemtic Name: methyl 2-chloranyl-3-[(1-ethyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-4-methylsulfonyl-benzoate Openeye Name: methyl 2-chloro-3-[(1-ethyltetrazol-5-yl)sulfanylmethyl]-4-methylsulfonyl-benzoate CAS Name: 2-chloro-3-[[(1-ethyl-5-tetrazolyl)thio]methyl]-4-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 2-chloro-3-[(1-ethyltetrazol-5-yl)sulfanylmethyl]-4-methylsulfonylbenzoate Traditional Name: 2-chloro-3-[[(1-ethyltetrazol-5-yl)thio]methyl]-4-mesyl-benzoic acid methyl ester Formula: C13H15ClN4O4S2 MolecularWeight: 390.8656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClN4O4S2/c1-4-18-13(15-16-17-18)23-7-9-10(24(3,20)21)6-5-8(11(9)14)12(19)22-2/h5-6H,4,7H2,1-3H3