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

Systemtic Name: ethanedioic acid; 2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamine Openeye Name: oxalic acid; 2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamine CAS Name: oxalic acid; 2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]ethanamine IUPAC Name: oxalic acid; 2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamine Traditional Name: oxalic acid; 2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]ethylamine Formula: C16H16N4O4S2 MolecularWeight: 392.45264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCCN)C3=CC=CS3.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCCN)C3=CC=CS3.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H14N4S2.C2H2O4/c15-8-10-20-14-17-16-13(12-7-4-9-19-12)18(14)11-5-2-1-3-6-11;3-1(4)2(5)6/h1-7,9H,8,10,15H2;(H,3,4)(H,5,6)