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

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]sulfanyl-5-phenyl-1,3,4-oxadiazole Openeye Name: 2-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]sulfanyl-5-phenyl-1,3,4-oxadiazole CAS Name: 2-[[4-(1-azepanylsulfonyl)-2-nitrophenyl]thio]-5-phenyl-1,3,4-oxadiazole IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]sulfanyl-5-phenyl-1,3,4-oxadiazole Traditional Name: 2-[[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]thio]-5-phenyl-1,3,4-oxadiazole Formula: C20H20N4O5S2 MolecularWeight: 460.5266

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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=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O5S2/c25-24(26)17-14-16(31(27,28)23-12-6-1-2-7-13-23)10-11-18(17)30-20-22-21-19(29-20)15-8-4-3-5-9-15/h3-5,8-11,14H,1-2,6-7,12-13H2