3-(1,2-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-4-pent-4-ynylsulfanyl-1,2,5-thiadiazole; ethanedioic acid

Systemtic Name: 3-(1,2-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-4-pent-4-ynylsulfanyl-1,2,5-thiadiazole; ethanedioic acid Openeye Name: 3-(1,2-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-4-pent-4-ynylsulfanyl-1,2,5-thiadiazole; oxalic acid CAS Name: 3-(1,2-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-4-(pent-4-ynylthio)-1,2,5-thiadiazole; oxalic acid IUPAC Name: 3-(1,2-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-4-pent-4-ynylsulfanyl-1,2,5-thiadiazole; oxalic acid Traditional Name: 3-(1,2-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-4-(pent-4-ynylthio)-1,2,5-thiadiazole; oxalic acid Formula: C16H21N3O4S2 MolecularWeight: 383.48564

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC=C(CN1C)C2=NSN=C2SCCCC#C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CC=C(CN1C)C2=NSN=C2SCCCC#C.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H19N3S2.C2H2O4/c1-4-5-6-9-18-14-13(15-19-16-14)12-8-7-11(2)17(3)10-12;3-1(4)2(5)6/h1,8,11H,5-7,9-10H2,2-3H3;(H,3,4)(H,5,6)