1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[(3,5-dimethyl-4-isoxazolyl)methylthio]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[(3,5-dimethylisoxazol-4-yl)methylthio]-3-nitro-phenyl]ethanone Formula: C14H14N2O4S MolecularWeight: 306.33696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O4S/c1-8-12(10(3)20-15-8)7-21-14-5-4-11(9(2)17)6-13(14)16(18)19/h4-6H,7H2,1-3H3