2-(furan-2-yl)-5-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-1,3,4-oxadiazole

Systemtic Name: 2-(furan-2-yl)-5-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-1,3,4-oxadiazole Openeye Name: 2-(2-furyl)-5-[4-[(3-methyl-1-piperidyl)sulfonyl]-2-nitro-phenyl]sulfanyl-1,3,4-oxadiazole CAS Name: 2-(2-furanyl)-5-[[4-[(3-methyl-1-piperidinyl)sulfonyl]-2-nitrophenyl]thio]-1,3,4-oxadiazole IUPAC Name: 2-(furan-2-yl)-5-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitrophenyl]sulfanyl-1,3,4-oxadiazole Traditional Name: 2-(2-furyl)-5-[[4-(3-methylpiperidino)sulfonyl-2-nitro-phenyl]thio]-1,3,4-oxadiazole Formula: C18H18N4O6S2 MolecularWeight: 450.48872

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(O3)C4=CC=CO4)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(O3)C4=CC=CO4)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O6S2/c1-12-4-2-8-21(11-12)30(25,26)13-6-7-16(14(10-13)22(23)24)29-18-20-19-17(28-18)15-5-3-9-27-15/h3,5-7,9-10,12H,2,4,8,11H2,1H3