ethanedioic acid; 2-[2-(1-methylimidazol-2-yl)sulfanylethylamino]ethanol

Systemtic Name: ethanedioic acid; 2-[2-(1-methylimidazol-2-yl)sulfanylethylamino]ethanol Openeye Name: 2-[2-(1-methylimidazol-2-yl)sulfanylethylamino]ethanol; oxalic acid CAS Name: 2-[2-[(1-methyl-2-imidazolyl)thio]ethylamino]ethanol; oxalic acid IUPAC Name: 2-[2-(1-methylimidazol-2-yl)sulfanylethylamino]ethanol; oxalic acid Traditional Name: 2-[2-[(1-methylimidazol-2-yl)thio]ethylamino]ethanol; oxalic acid Formula: C10H17N3O5S MolecularWeight: 291.32408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCCNCCO.C(=O)(C(=O)O)O

Isomeric SMILES

CN1C=CN=C1SCCNCCO.C(=O)(C(=O)O)O

InChI

InChI=1S/C8H15N3OS.C2H2O4/c1-11-5-2-10-8(11)13-7-4-9-3-6-12;3-1(4)2(5)6/h2,5,9,12H,3-4,6-7H2,1H3;(H,3,4)(H,5,6)