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

Systemtic Name: 3-but-2-ynoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole; ethanedioic acid Openeye Name: 3-but-2-ynoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole; oxalic acid CAS Name: 3-but-2-ynoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole; oxalic acid IUPAC Name: 3-but-2-ynoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole; oxalic acid Traditional Name: 3-but-2-ynoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole; oxalic acid Formula: C14H17N3O5S MolecularWeight: 339.36688

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=NSN=C1C2=CCCN(C2)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC#CCOC1=NSN=C1C2=CCCN(C2)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H15N3OS.C2H2O4/c1-3-4-8-16-12-11(13-17-14-12)10-6-5-7-15(2)9-10;3-1(4)2(5)6/h6H,5,7-9H2,1-2H3;(H,3,4)(H,5,6)