1-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]ethyl]-2-methyl-5-nitro-imidazole

Systemtic Name: 1-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]ethyl]-2-methyl-5-nitro-imidazole Openeye Name: 1-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]ethyl]-2-methyl-5-nitro-imidazole CAS Name: 1-[2-[(4,5-diphenyl-1H-imidazol-2-yl)thio]ethyl]-2-methyl-5-nitroimidazole IUPAC Name: 1-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]ethyl]-2-methyl-5-nitroimidazole Traditional Name: 1-[2-[(4,5-diphenyl-1H-imidazol-2-yl)thio]ethyl]-2-methyl-5-nitro-imidazole Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCSC2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCSC2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H19N5O2S/c1-15-22-14-18(26(27)28)25(15)12-13-29-21-23-19(16-8-4-2-5-9-16)20(24-21)17-10-6-3-7-11-17/h2-11,14H,12-13H2,1H3,(H,23,24)