3,5-dimethyl-4-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanylmethyl]-1,2-oxazole

Systemtic Name: 3,5-dimethyl-4-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanylmethyl]-1,2-oxazole Openeye Name: 3,5-dimethyl-4-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanylmethyl]isoxazole CAS Name: 3,5-dimethyl-4-[[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]thio]methyl]isoxazole IUPAC Name: 3,5-dimethyl-4-[(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)sulfanylmethyl]-1,2-oxazole Traditional Name: 3,5-dimethyl-4-[[(2-nitro-4-pyrrolidinosulfonyl-phenyl)thio]methyl]isoxazole Formula: C16H19N3O5S2 MolecularWeight: 397.46916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O5S2/c1-11-14(12(2)24-17-11)10-25-16-6-5-13(9-15(16)19(20)21)26(22,23)18-7-3-4-8-18/h5-6,9H,3-4,7-8,10H2,1-2H3