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

Systemtic Name: ethanedioic acid; 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(4-methylpentylsulfanyl)-1,2,5-thiadiazole Openeye Name: 3-isohexylsulfanyl-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole; oxalic acid CAS Name: 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(4-methylpentylthio)-1,2,5-thiadiazole; oxalic acid IUPAC Name: 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(4-methylpentylsulfanyl)-1,2,5-thiadiazole; oxalic acid Traditional Name: 3-(isohexylthio)-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole; oxalic acid Formula: C16H25N3O4S2 MolecularWeight: 387.5174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCSC1=NSN=C1C2=CCCN(C2)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)CCCSC1=NSN=C1C2=CCCN(C2)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H23N3S2.C2H2O4/c1-11(2)6-5-9-18-14-13(15-19-16-14)12-7-4-8-17(3)10-12;3-1(4)2(5)6/h7,11H,4-6,8-10H2,1-3H3;(H,3,4)(H,5,6)