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

Systemtic Name: ethanedioic acid; 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine Openeye Name: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine; oxalic acid CAS Name: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]ethanamine; oxalic acid IUPAC Name: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine; oxalic acid Traditional Name: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]ethylamine; oxalic acid Formula: C13H16N4O4S MolecularWeight: 324.35554

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCN)C2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CN1C(=NN=C1SCCN)C2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C11H14N4S.C2H2O4/c1-15-10(9-5-3-2-4-6-9)13-14-11(15)16-8-7-12;3-1(4)2(5)6/h2-6H,7-8,12H2,1H3;(H,3,4)(H,5,6)