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

Systemtic Name: 2-[(2,5-dimethylphenoxy)methyl]-5-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-1,3,4-oxadiazole Openeye Name: 2-[(2,5-dimethylphenoxy)methyl]-5-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-1,3,4-oxadiazole CAS Name: 2-[(2,5-dimethylphenoxy)methyl]-5-[[4-nitro-2-(1-pyrrolidinylsulfonyl)phenyl]thio]-1,3,4-oxadiazole IUPAC Name: 2-[(2,5-dimethylphenoxy)methyl]-5-(4-nitro-2-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-1,3,4-oxadiazole Traditional Name: 2-[(2,5-dimethylphenoxy)methyl]-5-[(4-nitro-2-pyrrolidinosulfonyl-phenyl)thio]-1,3,4-oxadiazole Formula: C21H22N4O6S2 MolecularWeight: 490.55258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCC2=NN=C(O2)SC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCC2=NN=C(O2)SC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H22N4O6S2/c1-14-5-6-15(2)17(11-14)30-13-20-22-23-21(31-20)32-18-8-7-16(25(26)27)12-19(18)33(28,29)24-9-3-4-10-24/h5-8,11-12H,3-4,9-10,13H2,1-2H3