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

Systemtic Name: 2-(2-methylfuran-3-yl)-5-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-1,3,4-oxadiazole Openeye Name: 2-(2-methyl-3-furyl)-5-[4-[(3-methyl-1-piperidyl)sulfonyl]-2-nitro-phenyl]sulfanyl-1,3,4-oxadiazole CAS Name: 2-(2-methyl-3-furanyl)-5-[[4-[(3-methyl-1-piperidinyl)sulfonyl]-2-nitrophenyl]thio]-1,3,4-oxadiazole IUPAC Name: 2-(2-methylfuran-3-yl)-5-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitrophenyl]sulfanyl-1,3,4-oxadiazole Traditional Name: 2-(2-methyl-3-furyl)-5-[[4-(3-methylpiperidino)sulfonyl-2-nitro-phenyl]thio]-1,3,4-oxadiazole Formula: C19H20N4O6S2 MolecularWeight: 464.5153

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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=C(OC=C4)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O6S2/c1-12-4-3-8-22(11-12)31(26,27)14-5-6-17(16(10-14)23(24)25)30-19-21-20-18(29-19)15-7-9-28-13(15)2/h5-7,9-10,12H,3-4,8,11H2,1-2H3