2-[2-methyl-5-nitro-3-(phenylmethyl)imidazol-4-yl]sulfanyl-1-phenyl-ethanone

Systemtic Name: 2-[2-methyl-5-nitro-3-(phenylmethyl)imidazol-4-yl]sulfanyl-1-phenyl-ethanone Openeye Name: 2-(3-benzyl-2-methyl-5-nitro-imidazol-4-yl)sulfanyl-1-phenyl-ethanone CAS Name: 2-[[2-methyl-5-nitro-3-(phenylmethyl)-4-imidazolyl]thio]-1-phenylethanone IUPAC Name: 2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanyl-1-phenylethanone Traditional Name: 2-[(3-benzyl-2-methyl-5-nitro-imidazol-4-yl)thio]-1-phenyl-ethanone Formula: C19H17N3O3S MolecularWeight: 367.42158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1CC2=CC=CC=C2)SCC(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(N1CC2=CC=CC=C2)SCC(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O3S/c1-14-20-18(22(24)25)19(21(14)12-15-8-4-2-5-9-15)26-13-17(23)16-10-6-3-7-11-16/h2-11H,12-13H2,1H3