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

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]sulfanyl-5-(4-methylphenyl)-1,3,4-oxadiazole Openeye Name: 2-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]sulfanyl-5-(p-tolyl)-1,3,4-oxadiazole CAS Name: 2-[[4-(1-azepanylsulfonyl)-2-nitrophenyl]thio]-5-(4-methylphenyl)-1,3,4-oxadiazole IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]sulfanyl-5-(4-methylphenyl)-1,3,4-oxadiazole Traditional Name: 2-[[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]thio]-5-(p-tolyl)-1,3,4-oxadiazole Formula: C21H22N4O5S2 MolecularWeight: 474.55318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(O2)SC3=C(C=C(C=C3)S(=O)(=O)N4CCCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(O2)SC3=C(C=C(C=C3)S(=O)(=O)N4CCCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O5S2/c1-15-6-8-16(9-7-15)20-22-23-21(30-20)31-19-11-10-17(14-18(19)25(26)27)32(28,29)24-12-4-2-3-5-13-24/h6-11,14H,2-5,12-13H2,1H3