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

Systemtic Name: ethanedioic acid; 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-pentylsulfanyl-1,2,5-oxadiazole Openeye Name: 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-pentylsulfanyl-1,2,5-oxadiazole; oxalic acid CAS Name: 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(pentylthio)-1,2,5-oxadiazole; oxalic acid IUPAC Name: 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-pentylsulfanyl-1,2,5-oxadiazole; oxalic acid Traditional Name: 3-(amylthio)-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)furazan; oxalic acid Formula: C15H23N3O5S MolecularWeight: 357.42522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NON=C1C2=CCCN(C2)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCCSC1=NON=C1C2=CCCN(C2)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H21N3OS.C2H2O4/c1-3-4-5-9-18-13-12(14-17-15-13)11-7-6-8-16(2)10-11;3-1(4)2(5)6/h7H,3-6,8-10H2,1-2H3;(H,3,4)(H,5,6)