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

Systemtic Name: ethanedioic acid; 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(3-phenylbutoxy)-1,2,5-thiadiazole Openeye Name: 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(3-phenylbutoxy)-1,2,5-thiadiazole; oxalic acid CAS Name: 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(3-phenylbutoxy)-1,2,5-thiadiazole; oxalic acid IUPAC Name: 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(3-phenylbutoxy)-1,2,5-thiadiazole; oxalic acid Traditional Name: 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(3-phenylbutoxy)-1,2,5-thiadiazole; oxalic acid Formula: C20H25N3O5S MolecularWeight: 419.4946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCOC1=NSN=C1C2=CCCN(C2)C)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC(CCOC1=NSN=C1C2=CCCN(C2)C)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H23N3OS.C2H2O4/c1-14(15-7-4-3-5-8-15)10-12-22-18-17(19-23-20-18)16-9-6-11-21(2)13-16;3-1(4)2(5)6/h3-5,7-9,14H,6,10-13H2,1-2H3;(H,3,4)(H,5,6)