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

Systemtic Name: 3-butylsulfanyl-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole; ethanedioic acid Openeye Name: 3-butylsulfanyl-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole; oxalic acid CAS Name: 3-(butylthio)-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole; oxalic acid IUPAC Name: 3-butylsulfanyl-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole; oxalic acid Traditional Name: 3-(butylthio)-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole; oxalic acid Formula: C13H19N3O4S2 MolecularWeight: 345.43766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H17N3S2.C2H2O4/c1-2-3-7-15-11-10(13-16-14-11)9-5-4-6-12-8-9;3-1(4)2(5)6/h5,12H,2-4,6-8H2,1H3;(H,3,4)(H,5,6)