3-(1,2-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-4-hexylsulfanyl-1,2,5-thiadiazole; ethanedioic acid

Systemtic Name: 3-(1,2-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-4-hexylsulfanyl-1,2,5-thiadiazole; ethanedioic acid Openeye Name: 3-(1,2-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-4-hexylsulfanyl-1,2,5-thiadiazole; oxalic acid CAS Name: 3-(1,2-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-4-(hexylthio)-1,2,5-thiadiazole; oxalic acid IUPAC Name: 3-(1,2-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-4-hexylsulfanyl-1,2,5-thiadiazole; oxalic acid Traditional Name: 3-(1,2-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-4-(hexylthio)-1,2,5-thiadiazole; oxalic acid Formula: C17H27N3O4S2 MolecularWeight: 401.54398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NSN=C1C2=CCC(N(C2)C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCCCSC1=NSN=C1C2=CCC(N(C2)C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H25N3S2.C2H2O4/c1-4-5-6-7-10-19-15-14(16-20-17-15)13-9-8-12(2)18(3)11-13;3-1(4)2(5)6/h9,12H,4-8,10-11H2,1-3H3;(H,3,4)(H,5,6)