5-(2-chloroethylsulfanyl)-1-[(4-methoxy-3-nitro-phenyl)methyl]-2-methyl-4-nitro-imidazole

Systemtic Name: 5-(2-chloroethylsulfanyl)-1-[(4-methoxy-3-nitro-phenyl)methyl]-2-methyl-4-nitro-imidazole Openeye Name: 5-(2-chloroethylsulfanyl)-1-[(4-methoxy-3-nitro-phenyl)methyl]-2-methyl-4-nitro-imidazole CAS Name: 5-(2-chloroethylthio)-1-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-4-nitroimidazole IUPAC Name: 5-(2-chloroethylsulfanyl)-1-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-4-nitroimidazole Traditional Name: 5-(2-chloroethylthio)-1-(4-methoxy-3-nitro-benzyl)-2-methyl-4-nitro-imidazole Formula: C14H15ClN4O5S MolecularWeight: 386.8107

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1CC2=CC(=C(C=C2)OC)[N+](=O)[O-])SCCCl)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(N1CC2=CC(=C(C=C2)OC)[N+](=O)[O-])SCCCl)[N+](=O)[O-]

InChI

InChI=1S/C14H15ClN4O5S/c1-9-16-13(19(22)23)14(25-6-5-15)17(9)8-10-3-4-12(24-2)11(7-10)18(20)21/h3-4,7H,5-6,8H2,1-2H3