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

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]sulfanyl-5-(furan-2-yl)-1,3,4-oxadiazole Openeye Name: 2-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]sulfanyl-5-(2-furyl)-1,3,4-oxadiazole CAS Name: 2-[[4-(1-azepanylsulfonyl)-2-nitrophenyl]thio]-5-(2-furanyl)-1,3,4-oxadiazole IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]sulfanyl-5-(furan-2-yl)-1,3,4-oxadiazole Traditional Name: 2-[[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]thio]-5-(2-furyl)-1,3,4-oxadiazole Formula: C18H18N4O6S2 MolecularWeight: 450.48872

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(O3)C4=CC=CO4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(O3)C4=CC=CO4)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O6S2/c23-22(24)14-12-13(30(25,26)21-9-3-1-2-4-10-21)7-8-16(14)29-18-20-19-17(28-18)15-6-5-11-27-15/h5-8,11-12H,1-4,9-10H2