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

Systemtic Name: ethanedioic acid; 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(2-phenoxyethylsulfanyl)-1,2,5-thiadiazole Openeye Name: 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(2-phenoxyethylsulfanyl)-1,2,5-thiadiazole; oxalic acid CAS Name: 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(2-phenoxyethylthio)-1,2,5-thiadiazole; oxalic acid IUPAC Name: 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(2-phenoxyethylsulfanyl)-1,2,5-thiadiazole; oxalic acid Traditional Name: 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(2-phenoxyethylthio)-1,2,5-thiadiazole; oxalic acid Formula: C18H21N3O5S2 MolecularWeight: 423.50644

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC=C(C1)C2=NSN=C2SCCOC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCC=C(C1)C2=NSN=C2SCCOC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H19N3OS2.C2H2O4/c1-19-9-5-6-13(12-19)15-16(18-22-17-15)21-11-10-20-14-7-3-2-4-8-14;3-1(4)2(5)6/h2-4,6-8H,5,9-12H2,1H3;(H,3,4)(H,5,6)