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

Systemtic Name: ethanedioic acid; 3-hexylsulfanyl-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-oxadiazole Openeye Name: 3-hexylsulfanyl-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-oxadiazole; oxalic acid CAS Name: 3-(hexylthio)-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-oxadiazole; oxalic acid IUPAC Name: 3-hexylsulfanyl-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-oxadiazole; oxalic acid Traditional Name: 3-(hexylthio)-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)furazan; oxalic acid Formula: C16H25N3O5S MolecularWeight: 371.4518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NON=C1C2=CCCN(C2)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCCCSC1=NON=C1C2=CCCN(C2)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H23N3OS.C2H2O4/c1-3-4-5-6-10-19-14-13(15-18-16-14)12-8-7-9-17(2)11-12;3-1(4)2(5)6/h8H,3-7,9-11H2,1-2H3;(H,3,4)(H,5,6)