1-[[5-(4-nitrophenyl)-1H-imidazol-2-yl]sulfanyl]propan-2-one

Systemtic Name: 1-[[5-(4-nitrophenyl)-1H-imidazol-2-yl]sulfanyl]propan-2-one Openeye Name: 1-[[5-(4-nitrophenyl)-1H-imidazol-2-yl]sulfanyl]propan-2-one CAS Name: 1-[[5-(4-nitrophenyl)-1H-imidazol-2-yl]thio]-2-propanone IUPAC Name: 1-[[5-(4-nitrophenyl)-1H-imidazol-2-yl]sulfanyl]propan-2-one Traditional Name: 1-[[5-(4-nitrophenyl)-1H-imidazol-2-yl]thio]acetone Formula: C12H11N3O3S MolecularWeight: 277.29904

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NC=C(N1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)CSC1=NC=C(N1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

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