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

Systemtic Name: ethanedioic acid; 3-heptylsulfanyl-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole Openeye Name: 3-heptylsulfanyl-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole; oxalic acid CAS Name: 3-(heptylthio)-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole; oxalic acid IUPAC Name: 3-heptylsulfanyl-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole; oxalic acid Traditional Name: 3-(heptylthio)-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole; oxalic acid Formula: C17H27N3O4S2 MolecularWeight: 401.54398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NSN=C1C2=CCCN(C2)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCCCCSC1=NSN=C1C2=CCCN(C2)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H25N3S2.C2H2O4/c1-3-4-5-6-7-11-19-15-14(16-20-17-15)13-9-8-10-18(2)12-13;3-1(4)2(5)6/h9H,3-8,10-12H2,1-2H3;(H,3,4)(H,5,6)