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

Systemtic Name: 5-(2-chloroethylsulfanyl)-1-[(4-chlorophenyl)methyl]-2-methyl-4-nitro-imidazole Openeye Name: 5-(2-chloroethylsulfanyl)-1-[(4-chlorophenyl)methyl]-2-methyl-4-nitro-imidazole CAS Name: 5-(2-chloroethylthio)-1-[(4-chlorophenyl)methyl]-2-methyl-4-nitroimidazole IUPAC Name: 5-(2-chloroethylsulfanyl)-1-[(4-chlorophenyl)methyl]-2-methyl-4-nitroimidazole Traditional Name: 1-(4-chlorobenzyl)-5-(2-chloroethylthio)-2-methyl-4-nitro-imidazole Formula: C13H13Cl2N3O2S MolecularWeight: 346.23222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13Cl2N3O2S/c1-9-16-12(18(19)20)13(21-7-6-14)17(9)8-10-2-4-11(15)5-3-10/h2-5H,6-8H2,1H3