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

Systemtic Name: ethanedioic acid; 3-hex-5-ynoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole Openeye Name: 3-hex-5-ynoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole; oxalic acid CAS Name: 3-hex-5-ynoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole; oxalic acid IUPAC Name: 3-hex-5-ynoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole; oxalic acid Traditional Name: 3-hex-5-ynoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole; oxalic acid Formula: C16H21N3O5S MolecularWeight: 367.42004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC=C(C1)C2=NSN=C2OCCCCC#C.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCC=C(C1)C2=NSN=C2OCCCCC#C.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H19N3OS.C2H2O4/c1-3-4-5-6-10-18-14-13(15-19-16-14)12-8-7-9-17(2)11-12;3-1(4)2(5)6/h1,8H,4-7,9-11H2,2H3;(H,3,4)(H,5,6)