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

Systemtic Name: ethanedioic acid; 3-propylsulfanyl-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole Openeye Name: oxalic acid; 3-propylsulfanyl-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole CAS Name: oxalic acid; 3-(propylthio)-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole IUPAC Name: oxalic acid; 3-propylsulfanyl-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole Traditional Name: oxalic acid; 3-(propylthio)-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole Formula: C12H17N3O4S2 MolecularWeight: 331.41108

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NSN=C1C2=CCCNC2.C(=O)(C(=O)O)O

Isomeric SMILES

CCCSC1=NSN=C1C2=CCCNC2.C(=O)(C(=O)O)O

InChI

InChI=1S/C10H15N3S2.C2H2O4/c1-2-6-14-10-9(12-15-13-10)8-4-3-5-11-7-8;3-1(4)2(5)6/h4,11H,2-3,5-7H2,1H3;(H,3,4)(H,5,6)