3-hexylsulfanyl-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 3-hexylsulfanyl-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 3-hexylsulfanyl-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole CAS Name: 3-(hexylthio)-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 3-hexylsulfanyl-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; 3-(hexylthio)-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole Formula: C20H31N3O7S2 MolecularWeight: 489.60604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NSN=C1C2=CCCN(C2)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCCCCCSC1=NSN=C1C2=CCCN(C2)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C14H23N3S2.C6H8O7/c1-3-4-5-6-10-18-14-13(15-19-16-14)12-8-7-9-17(2)11-12;7-3(8)1-6(13,5(11)12)2-4(9)10/h8H,3-7,9-11H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)