5-(3-chloranylpropylsulfanyl)-1-[(4-chlorophenyl)methyl]-2-methyl-4-nitro-imidazole

Systemtic Name: 5-(3-chloranylpropylsulfanyl)-1-[(4-chlorophenyl)methyl]-2-methyl-4-nitro-imidazole Openeye Name: 1-[(4-chlorophenyl)methyl]-5-(3-chloropropylsulfanyl)-2-methyl-4-nitro-imidazole CAS Name: 1-[(4-chlorophenyl)methyl]-5-(3-chloropropylthio)-2-methyl-4-nitroimidazole IUPAC Name: 1-[(4-chlorophenyl)methyl]-5-(3-chloropropylsulfanyl)-2-methyl-4-nitroimidazole Traditional Name: 1-(4-chlorobenzyl)-5-(3-chloropropylthio)-2-methyl-4-nitro-imidazole Formula: C14H15Cl2N3O2S MolecularWeight: 360.2588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15Cl2N3O2S/c1-10-17-13(19(20)21)14(22-8-2-7-15)18(10)9-11-3-5-12(16)6-4-11/h3-6H,2,7-9H2,1H3