5-methyl-N-(2-methylsulfanylphenyl)-4-nitro-1,2-oxazole-3-carboxamide

Systemtic Name: 5-methyl-N-(2-methylsulfanylphenyl)-4-nitro-1,2-oxazole-3-carboxamide Openeye Name: 5-methyl-N-(2-methylsulfanylphenyl)-4-nitro-isoxazole-3-carboxamide CAS Name: 5-methyl-N-[2-(methylthio)phenyl]-4-nitro-3-isoxazolecarboxamide IUPAC Name: 5-methyl-N-(2-methylsulfanylphenyl)-4-nitro-1,2-oxazole-3-carboxamide Traditional Name: 5-methyl-N-[2-(methylthio)phenyl]-4-nitro-isoxazole-3-carboxamide Formula: C12H11N3O4S MolecularWeight: 293.29844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C(=O)NC2=CC=CC=C2SC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C(=O)NC2=CC=CC=C2SC)[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O4S/c1-7-11(15(17)18)10(14-19-7)12(16)13-8-5-3-4-6-9(8)20-2/h3-6H,1-2H3,(H,13,16)