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

Systemtic Name: ethanedioic acid; 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-pent-4-ynylsulfanyl-1,2,5-thiadiazole Openeye Name: 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-pent-4-ynylsulfanyl-1,2,5-thiadiazole; oxalic acid CAS Name: 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(pent-4-ynylthio)-1,2,5-thiadiazole; oxalic acid IUPAC Name: 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-pent-4-ynylsulfanyl-1,2,5-thiadiazole; oxalic acid Traditional Name: 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(pent-4-ynylthio)-1,2,5-thiadiazole; oxalic acid Formula: C15H19N3O4S2 MolecularWeight: 369.45906

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC=C(C1)C2=NSN=C2SCCCC#C.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCC=C(C1)C2=NSN=C2SCCCC#C.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H17N3S2.C2H2O4/c1-3-4-5-9-17-13-12(14-18-15-13)11-7-6-8-16(2)10-11;3-1(4)2(5)6/h1,7H,4-6,8-10H2,2H3;(H,3,4)(H,5,6)