(1-methylimidazol-2-yl)-[3-nitro-2-(phenylmethylsulfanyl)phenyl]methanone

Systemtic Name: (1-methylimidazol-2-yl)-[3-nitro-2-(phenylmethylsulfanyl)phenyl]methanone Openeye Name: (2-benzylsulfanyl-3-nitro-phenyl)-(1-methylimidazol-2-yl)methanone CAS Name: (1-methyl-2-imidazolyl)-[3-nitro-2-(phenylmethylthio)phenyl]methanone IUPAC Name: (2-benzylsulfanyl-3-nitrophenyl)-(1-methylimidazol-2-yl)methanone Traditional Name: [2-(benzylthio)-3-nitro-phenyl]-(1-methylimidazol-2-yl)methanone Formula: C18H15N3O3S MolecularWeight: 353.395

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(=O)C2=C(C(=CC=C2)[N+](=O)[O-])SCC3=CC=CC=C3

Isomeric SMILES

CN1C=CN=C1C(=O)C2=C(C(=CC=C2)[N+](=O)[O-])SCC3=CC=CC=C3

InChI

InChI=1S/C18H15N3O3S/c1-20-11-10-19-18(20)16(22)14-8-5-9-15(21(23)24)17(14)25-12-13-6-3-2-4-7-13/h2-11H,12H2,1H3