4-[2-(4-methylphenyl)sulfanyl-4,6-dinitro-phenyl]-1,2-oxazole

Systemtic Name: 4-[2-(4-methylphenyl)sulfanyl-4,6-dinitro-phenyl]-1,2-oxazole Openeye Name: 4-[2,4-dinitro-6-(p-tolylsulfanyl)phenyl]isoxazole CAS Name: 4-[2-[(4-methylphenyl)thio]-4,6-dinitrophenyl]isoxazole IUPAC Name: 4-[2-(4-methylphenyl)sulfanyl-4,6-dinitrophenyl]-1,2-oxazole Traditional Name: 4-[2,4-dinitro-6-(p-tolylthio)phenyl]isoxazole Formula: C16H11N3O5S MolecularWeight: 357.34064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC(=CC(=C2C3=CON=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC(=CC(=C2C3=CON=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H11N3O5S/c1-10-2-4-13(5-3-10)25-15-7-12(18(20)21)6-14(19(22)23)16(15)11-8-17-24-9-11/h2-9H,1H3