2-[5-nitro-6-(4-pyridin-2-ylsulfanylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl-5-phenyl-1,3,4-oxadiazole

Systemtic Name: 2-[5-nitro-6-(4-pyridin-2-ylsulfanylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl-5-phenyl-1,3,4-oxadiazole Openeye Name: 2-[5-nitro-6-[4-(2-pyridylsulfanyl)-1-piperidyl]pyrimidin-4-yl]sulfanyl-5-phenyl-1,3,4-oxadiazole CAS Name: 2-[[5-nitro-6-[4-(2-pyridinylthio)-1-piperidinyl]-4-pyrimidinyl]thio]-5-phenyl-1,3,4-oxadiazole IUPAC Name: 2-[5-nitro-6-(4-pyridin-2-ylsulfanylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl-5-phenyl-1,3,4-oxadiazole Traditional Name: 2-[[5-nitro-6-[4-(2-pyridylthio)piperidino]pyrimidin-4-yl]thio]-5-phenyl-1,3,4-oxadiazole Formula: C22H19N7O3S2 MolecularWeight: 493.56136

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1SC2=CC=CC=N2)C3=C(C(=NC=N3)SC4=NN=C(O4)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1SC2=CC=CC=N2)C3=C(C(=NC=N3)SC4=NN=C(O4)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H19N7O3S2/c30-29(31)18-19(28-12-9-16(10-13-28)33-17-8-4-5-11-23-17)24-14-25-21(18)34-22-27-26-20(32-22)15-6-2-1-3-7-15/h1-8,11,14,16H,9-10,12-13H2