2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]-1-phenyl-ethanone CAS Name: 2-[(2-methyl-5-nitro-1H-imidazol-4-yl)thio]-1-phenylethanone IUPAC Name: 2-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]-1-phenylethanone Traditional Name: 2-[(2-methyl-5-nitro-1H-imidazol-4-yl)thio]-1-phenyl-ethanone Formula: C12H11N3O3S MolecularWeight: 277.29904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1)[N+](=O)[O-])SCC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=NC(=C(N1)[N+](=O)[O-])SCC(=O)C2=CC=CC=C2

InChI

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