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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(O2)SC3=C(C=C(C=C3)S(=O)(=O)N4CCCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(O2)SC3=C(C=C(C=C3)S(=O)(=O)N4CCCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O6S2/c1-13-15(8-11-28-13)18-20-21-19(29-18)30-17-7-6-14(12-16(17)23(24)25)31(26,27)22-9-4-2-3-5-10-22/h6-8,11-12H,2-5,9-10H2,1H3