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

Systemtic Name: 1-(4-chlorophenyl)-2-[2-methyl-5-nitro-3-(phenylmethyl)imidazol-4-yl]sulfanyl-ethanone Openeye Name: 2-(3-benzyl-2-methyl-5-nitro-imidazol-4-yl)sulfanyl-1-(4-chlorophenyl)ethanone CAS Name: 1-(4-chlorophenyl)-2-[[2-methyl-5-nitro-3-(phenylmethyl)-4-imidazolyl]thio]ethanone IUPAC Name: 2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanyl-1-(4-chlorophenyl)ethanone Traditional Name: 2-[(3-benzyl-2-methyl-5-nitro-imidazol-4-yl)thio]-1-(4-chlorophenyl)ethanone Formula: C19H16ClN3O3S MolecularWeight: 401.86664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClN3O3S/c1-13-21-18(23(25)26)19(22(13)11-14-5-3-2-4-6-14)27-12-17(24)15-7-9-16(20)10-8-15/h2-10H,11-12H2,1H3