1-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]ethanone Openeye Name: 1-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]ethanone CAS Name: 1-[4-[(1-methyl-2-imidazolyl)thio]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]ethanone Traditional Name: 1-[4-[(1-methylimidazol-2-yl)thio]-3-nitro-phenyl]ethanone Formula: C12H11N3O3S MolecularWeight: 277.29904

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)SC2=NC=CN2C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)SC2=NC=CN2C)[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O3S/c1-8(16)9-3-4-11(10(7-9)15(17)18)19-12-13-5-6-14(12)2/h3-7H,1-2H3