2-(1-methylimidazol-2-yl)sulfanyl-1-(4-nitrophenyl)ethanone

Systemtic Name: 2-(1-methylimidazol-2-yl)sulfanyl-1-(4-nitrophenyl)ethanone Openeye Name: 2-(1-methylimidazol-2-yl)sulfanyl-1-(4-nitrophenyl)ethanone CAS Name: 2-[(1-methyl-2-imidazolyl)thio]-1-(4-nitrophenyl)ethanone IUPAC Name: 2-(1-methylimidazol-2-yl)sulfanyl-1-(4-nitrophenyl)ethanone Traditional Name: 2-[(1-methylimidazol-2-yl)thio]-1-(4-nitrophenyl)ethanone Formula: C12H11N3O3S MolecularWeight: 277.29904

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN1C=CN=C1SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O3S/c1-14-7-6-13-12(14)19-8-11(16)9-2-4-10(5-3-9)15(17)18/h2-7H,8H2,1H3