ethanedioic acid; 3-pent-4-ynylsulfanyl-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole

Systemtic Name: ethanedioic acid; 3-pent-4-ynylsulfanyl-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole Openeye Name: oxalic acid; 3-pent-4-ynylsulfanyl-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole CAS Name: oxalic acid; 3-(pent-4-ynylthio)-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole IUPAC Name: oxalic acid; 3-pent-4-ynylsulfanyl-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole Traditional Name: oxalic acid; 3-(pent-4-ynylthio)-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole Formula: C14H17N3O4S2 MolecularWeight: 355.43248

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCCSC1=NSN=C1C2=CCCNC2.C(=O)(C(=O)O)O

Isomeric SMILES

C#CCCCSC1=NSN=C1C2=CCCNC2.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H15N3S2.C2H2O4/c1-2-3-4-8-16-12-11(14-17-15-12)10-6-5-7-13-9-10;3-1(4)2(5)6/h1,6,13H,3-5,7-9H2;(H,3,4)(H,5,6)