ethanedioic acid; 2-[2-[[1-(2-methoxy-5-methyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethylamino]ethanol

Systemtic Name: ethanedioic acid; 2-[2-[[1-(2-methoxy-5-methyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethylamino]ethanol Openeye Name: 2-[2-[1-(2-methoxy-5-methyl-phenyl)tetrazol-5-yl]sulfanylethylamino]ethanol; oxalic acid CAS Name: 2-[2-[[1-(2-methoxy-5-methylphenyl)-5-tetrazolyl]thio]ethylamino]ethanol; oxalic acid IUPAC Name: 2-[2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylethylamino]ethanol; oxalic acid Traditional Name: 2-[2-[[1-(2-methoxy-5-methyl-phenyl)tetrazol-5-yl]thio]ethylamino]ethanol; oxalic acid Formula: C15H21N5O6S MolecularWeight: 399.42214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=NN=N2)SCCNCCO.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=NN=N2)SCCNCCO.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H19N5O2S.C2H2O4/c1-10-3-4-12(20-2)11(9-10)18-13(15-16-17-18)21-8-6-14-5-7-19;3-1(4)2(5)6/h3-4,9,14,19H,5-8H2,1-2H3;(H,3,4)(H,5,6)