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

Systemtic Name: 2-chloranyl-3-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-4-methylsulfonyl-benzoic acid Openeye Name: 2-chloro-3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-4-methylsulfonyl-benzoic acid CAS Name: 2-chloro-3-[[(1-cyclopropyl-5-tetrazolyl)thio]methyl]-4-methylsulfonylbenzoic acid IUPAC Name: 2-chloro-3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-4-methylsulfonylbenzoic acid Traditional Name: 2-chloro-3-[[(1-cyclopropyltetrazol-5-yl)thio]methyl]-4-mesyl-benzoic acid Formula: C13H13ClN4O4S2 MolecularWeight: 388.84972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13ClN4O4S2/c1-24(21,22)10-5-4-8(12(19)20)11(14)9(10)6-23-13-15-16-17-18(13)7-2-3-7/h4-5,7H,2-3,6H2,1H3,(H,19,20)