1-(4-nitrophenyl)-2-[1-(phenylmethyl)imidazol-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(4-nitrophenyl)-2-[1-(phenylmethyl)imidazol-2-yl]sulfanyl-ethanone Openeye Name: 2-(1-benzylimidazol-2-yl)sulfanyl-1-(4-nitrophenyl)ethanone CAS Name: 1-(4-nitrophenyl)-2-[[1-(phenylmethyl)-2-imidazolyl]thio]ethanone IUPAC Name: 2-(1-benzylimidazol-2-yl)sulfanyl-1-(4-nitrophenyl)ethanone Traditional Name: 2-[(1-benzylimidazol-2-yl)thio]-1-(4-nitrophenyl)ethanone Formula: C18H15N3O3S MolecularWeight: 353.395

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=CN=C2SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=CN=C2SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O3S/c22-17(15-6-8-16(9-7-15)21(23)24)13-25-18-19-10-11-20(18)12-14-4-2-1-3-5-14/h1-11H,12-13H2