ethanedioic acid; 2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethylamino]ethanol

Systemtic Name: ethanedioic acid; 2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethylamino]ethanol Openeye Name: 2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethylamino]ethanol; oxalic acid CAS Name: 2-[2-[(4-methyl-1,2,4-triazol-3-yl)thio]ethylamino]ethanol; oxalic acid IUPAC Name: 2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethylamino]ethanol; oxalic acid Traditional Name: 2-[2-[(4-methyl-1,2,4-triazol-3-yl)thio]ethylamino]ethanol; oxalic acid Formula: C9H16N4O5S MolecularWeight: 292.31214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H14N4OS.C2H2O4/c1-11-6-9-10-7(11)13-5-3-8-2-4-12;3-1(4)2(5)6/h6,8,12H,2-5H2,1H3;(H,3,4)(H,5,6)