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

Systemtic Name: ethanedioic acid; 2-[[4-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamine Openeye Name: 2-[[4-(2-furylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamine; oxalic acid CAS Name: 2-[[4-(2-furanylmethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]ethanamine; oxalic acid IUPAC Name: 2-[[4-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamine; oxalic acid Traditional Name: 2-[[4-(2-furfuryl)-5-phenyl-1,2,4-triazol-3-yl]thio]ethylamine; oxalic acid Formula: C17H18N4O5S MolecularWeight: 390.41362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CO3)SCCN.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CO3)SCCN.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H16N4OS.C2H2O4/c16-8-10-21-15-18-17-14(12-5-2-1-3-6-12)19(15)11-13-7-4-9-20-13;3-1(4)2(5)6/h1-7,9H,8,10-11,16H2;(H,3,4)(H,5,6)