2-(4-methoxyphenyl)-5-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-1,3,4-oxadiazole

Systemtic Name: 2-(4-methoxyphenyl)-5-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-1,3,4-oxadiazole Openeye Name: 2-(4-methoxyphenyl)-5-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-1,3,4-oxadiazole CAS Name: 2-(4-methoxyphenyl)-5-[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]thio]-1,3,4-oxadiazole IUPAC Name: 2-(4-methoxyphenyl)-5-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-1,3,4-oxadiazole Traditional Name: 2-(4-methoxyphenyl)-5-[(2-nitro-4-pyrrolidinosulfonyl-phenyl)thio]-1,3,4-oxadiazole Formula: C19H18N4O6S2 MolecularWeight: 462.49942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(O2)SC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(O2)SC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O6S2/c1-28-14-6-4-13(5-7-14)18-20-21-19(29-18)30-17-9-8-15(12-16(17)23(24)25)31(26,27)22-10-2-3-11-22/h4-9,12H,2-3,10-11H2,1H3