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

Systemtic Name: ethanedioic acid; 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(phenylmethylsulfanyl)-1,2,5-thiadiazole Openeye Name: 3-benzylsulfanyl-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole; oxalic acid CAS Name: 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(phenylmethylthio)-1,2,5-thiadiazole; oxalic acid IUPAC Name: 3-benzylsulfanyl-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole; oxalic acid Traditional Name: 3-(benzylthio)-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole; oxalic acid Formula: C17H19N3O4S2 MolecularWeight: 393.48046

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC=C(C1)C2=NSN=C2SCC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCC=C(C1)C2=NSN=C2SCC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H17N3S2.C2H2O4/c1-18-9-5-8-13(10-18)14-15(17-20-16-14)19-11-12-6-3-2-4-7-12;3-1(4)2(5)6/h2-4,6-8H,5,9-11H2,1H3;(H,3,4)(H,5,6)