ethanedioic acid; 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(2-phenoxyethylsulfanyl)-1,2,5-oxadiazole

Systemtic Name: ethanedioic acid; 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(2-phenoxyethylsulfanyl)-1,2,5-oxadiazole Openeye Name: 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(2-phenoxyethylsulfanyl)-1,2,5-oxadiazole; oxalic acid CAS Name: 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(2-phenoxyethylthio)-1,2,5-oxadiazole; oxalic acid IUPAC Name: 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(2-phenoxyethylsulfanyl)-1,2,5-oxadiazole; oxalic acid Traditional Name: 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(2-phenoxyethylthio)furazan; oxalic acid Formula: C18H21N3O6S MolecularWeight: 407.44084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC=C(C1)C2=NON=C2SCCOC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCC=C(C1)C2=NON=C2SCCOC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H19N3O2S.C2H2O4/c1-19-9-5-6-13(12-19)15-16(18-21-17-15)22-11-10-20-14-7-3-2-4-8-14;3-1(4)2(5)6/h2-4,6-8H,5,9-12H2,1H3;(H,3,4)(H,5,6)