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

Systemtic Name: 3-(1,2-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-4-pentylsulfanyl-1,2,5-thiadiazole; ethanedioic acid Openeye Name: 3-(1,2-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-4-pentylsulfanyl-1,2,5-thiadiazole; oxalic acid CAS Name: 3-(1,2-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-4-(pentylthio)-1,2,5-thiadiazole; oxalic acid IUPAC Name: 3-(1,2-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-4-pentylsulfanyl-1,2,5-thiadiazole; oxalic acid Traditional Name: 3-(amylthio)-4-(1,2-dimethyl-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:

CCCCCSC1=NSN=C1C2=CCC(N(C2)C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCCSC1=NSN=C1C2=CCC(N(C2)C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H23N3S2.C2H2O4/c1-4-5-6-9-18-14-13(15-19-16-14)12-8-7-11(2)17(3)10-12;3-1(4)2(5)6/h8,11H,4-7,9-10H2,1-3H3;(H,3,4)(H,5,6)