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

Systemtic Name: ethanedioic acid; 2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamine Openeye Name: oxalic acid; 2-[[4-(tetrahydrofuran-2-ylmethyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamine CAS Name: oxalic acid; 2-[[4-(2-oxolanylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]ethanamine IUPAC Name: oxalic acid; 2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamine Traditional Name: oxalic acid; 2-[[4-(tetrahydrofurfuryl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]ethylamine Formula: C15H20N4O5S2 MolecularWeight: 400.4731

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=NN=C2SCCN)C3=CC=CS3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC(OC1)CN2C(=NN=C2SCCN)C3=CC=CS3.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H18N4OS2.C2H2O4/c14-5-8-20-13-16-15-12(11-4-2-7-19-11)17(13)9-10-3-1-6-18-10;3-1(4)2(5)6/h2,4,7,10H,1,3,5-6,8-9,14H2;(H,3,4)(H,5,6)