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

Systemtic Name: ethanedioic acid; 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(pyridin-4-ylmethylsulfanyl)-1,2,5-thiadiazole Openeye Name: 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(4-pyridylmethylsulfanyl)-1,2,5-thiadiazole; oxalic acid CAS Name: 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(pyridin-4-ylmethylthio)-1,2,5-thiadiazole; oxalic acid IUPAC Name: 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(pyridin-4-ylmethylsulfanyl)-1,2,5-thiadiazole; oxalic acid Traditional Name: 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(4-pyridylmethylthio)-1,2,5-thiadiazole; oxalic acid Formula: C16H18N4O4S2 MolecularWeight: 394.46852

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC=C(C1)C2=NSN=C2SCC3=CC=NC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCC=C(C1)C2=NSN=C2SCC3=CC=NC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H16N4S2.C2H2O4/c1-18-8-2-3-12(9-18)13-14(17-20-16-13)19-10-11-4-6-15-7-5-11;3-1(4)2(5)6/h3-7H,2,8-10H2,1H3;(H,3,4)(H,5,6)