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

Systemtic Name: ethanedioic acid; 3-ethylsulfanyl-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole Openeye Name: 3-ethylsulfanyl-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole; oxalic acid CAS Name: 3-(ethylthio)-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole; oxalic acid IUPAC Name: 3-ethylsulfanyl-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole; oxalic acid Traditional Name: 3-(ethylthio)-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole; oxalic acid Formula: C12H17N3O4S2 MolecularWeight: 331.41108

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NSN=C1C2=CCCN(C2)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCSC1=NSN=C1C2=CCCN(C2)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C10H15N3S2.C2H2O4/c1-3-14-10-9(11-15-12-10)8-5-4-6-13(2)7-8;3-1(4)2(5)6/h5H,3-4,6-7H2,1-2H3;(H,3,4)(H,5,6)