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

Systemtic Name: ethanedioic acid; 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(1-phenoxyethylsulfanyl)-1,2,5-oxadiazole Openeye Name: 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(1-phenoxyethylsulfanyl)-1,2,5-oxadiazole; oxalic acid CAS Name: 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(1-phenoxyethylthio)-1,2,5-oxadiazole; oxalic acid IUPAC Name: 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(1-phenoxyethylsulfanyl)-1,2,5-oxadiazole; oxalic acid Traditional Name: 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(1-phenoxyethylthio)furazan; oxalic acid Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC1=CC=CC=C1)SC2=NON=C2C3=CCCN(C3)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC(OC1=CC=CC=C1)SC2=NON=C2C3=CCCN(C3)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H19N3O2S.C2H2O4/c1-12(20-14-8-4-3-5-9-14)22-16-15(17-21-18-16)13-7-6-10-19(2)11-13;3-1(4)2(5)6/h3-5,7-9,12H,6,10-11H2,1-2H3;(H,3,4)(H,5,6)