ethanedioic acid; 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamine

Systemtic Name: ethanedioic acid; 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamine Openeye Name: 2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamine; oxalic acid CAS Name: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]ethanamine; oxalic acid IUPAC Name: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamine; oxalic acid Traditional Name: 2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]ethylamine; oxalic acid Formula: C12H16N4O4S2 MolecularWeight: 344.40984

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCN)C2=CC=CS2.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1C(=NN=C1SCCN)C2=CC=CS2.C(=O)(C(=O)O)O

InChI

InChI=1S/C10H14N4S2.C2H2O4/c1-2-14-9(8-4-3-6-15-8)12-13-10(14)16-7-5-11;3-1(4)2(5)6/h3-4,6H,2,5,7,11H2,1H3;(H,3,4)(H,5,6)