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

Systemtic Name: ethanedioic acid; 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(3-thiophen-2-ylpropylsulfanyl)-1,2,5-thiadiazole Openeye Name: 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-[3-(2-thienyl)propylsulfanyl]-1,2,5-thiadiazole; oxalic acid CAS Name: 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(3-thiophen-2-ylpropylthio)-1,2,5-thiadiazole; oxalic acid IUPAC Name: 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(3-thiophen-2-ylpropylsulfanyl)-1,2,5-thiadiazole; oxalic acid Traditional Name: 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-[3-(2-thienyl)propylthio]-1,2,5-thiadiazole; oxalic acid Formula: C17H21N3O4S3 MolecularWeight: 427.56134

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC=C(C1)C2=NSN=C2SCCCC3=CC=CS3.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCC=C(C1)C2=NSN=C2SCCCC3=CC=CS3.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H19N3S3.C2H2O4/c1-18-8-2-5-12(11-18)14-15(17-21-16-14)20-10-4-7-13-6-3-9-19-13;3-1(4)2(5)6/h3,5-6,9H,2,4,7-8,10-11H2,1H3;(H,3,4)(H,5,6)