6-chloranyl-2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]-1H-benzimidazole

Systemtic Name: 6-chloranyl-2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]-1H-benzimidazole Openeye Name: 6-chloro-2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]-1H-benzimidazole CAS Name: 6-chloro-2-[2-(2-methyl-5-nitro-1-imidazolyl)ethylthio]-1H-benzimidazole IUPAC Name: 6-chloro-2-[2-(2-methyl-5-nitroimidazol-1-yl)ethylsulfanyl]-1H-benzimidazole Traditional Name: 6-chloro-2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylthio]-1H-benzimidazole Formula: C13H12ClN5O2S MolecularWeight: 337.78468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCSC2=NC3=C(N2)C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCSC2=NC3=C(N2)C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H12ClN5O2S/c1-8-15-7-12(19(20)21)18(8)4-5-22-13-16-10-3-2-9(14)6-11(10)17-13/h2-3,6-7H,4-5H2,1H3,(H,16,17)