4,5-dimethyl-2-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-1,3-oxazole

Systemtic Name: 4,5-dimethyl-2-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-1,3-oxazole Openeye Name: 4,5-dimethyl-2-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-oxazole CAS Name: 4,5-dimethyl-2-[[4-nitro-2-(1-pyrrolidinylsulfonyl)phenyl]thio]oxazole IUPAC Name: 4,5-dimethyl-2-(4-nitro-2-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-1,3-oxazole Traditional Name: 4,5-dimethyl-2-[(4-nitro-2-pyrrolidinosulfonyl-phenyl)thio]oxazole Formula: C15H17N3O5S2 MolecularWeight: 383.44258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCC3)C

Isomeric SMILES

CC1=C(OC(=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCC3)C

InChI

InChI=1S/C15H17N3O5S2/c1-10-11(2)23-15(16-10)24-13-6-5-12(18(19)20)9-14(13)25(21,22)17-7-3-4-8-17/h5-6,9H,3-4,7-8H2,1-2H3