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

Systemtic Name: ethanedioic acid; 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(1-methylsulfanylethoxy)-1,2,5-thiadiazole Openeye Name: 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(1-methylsulfanylethoxy)-1,2,5-thiadiazole; oxalic acid CAS Name: 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-[1-(methylthio)ethoxy]-1,2,5-thiadiazole; oxalic acid IUPAC Name: 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(1-methylsulfanylethoxy)-1,2,5-thiadiazole; oxalic acid Traditional Name: 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-[1-(methylthio)ethoxy]-1,2,5-thiadiazole; oxalic acid Formula: C13H19N3O5S2 MolecularWeight: 361.43706

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC1=NSN=C1C2=CCCN(C2)C)SC.C(=O)(C(=O)O)O

Isomeric SMILES

CC(OC1=NSN=C1C2=CCCN(C2)C)SC.C(=O)(C(=O)O)O

InChI

InChI=1S/C11H17N3OS2.C2H2O4/c1-8(16-3)15-11-10(12-17-13-11)9-5-4-6-14(2)7-9;3-1(4)2(5)6/h5,8H,4,6-7H2,1-3H3;(H,3,4)(H,5,6)