5-[2,3-bis(chloranyl)propylsulfanyl]-2-methyl-4-nitro-1-(phenylmethyl)imidazole

Systemtic Name: 5-[2,3-bis(chloranyl)propylsulfanyl]-2-methyl-4-nitro-1-(phenylmethyl)imidazole Openeye Name: 1-benzyl-5-(2,3-dichloropropylsulfanyl)-2-methyl-4-nitro-imidazole CAS Name: 5-(2,3-dichloropropylthio)-2-methyl-4-nitro-1-(phenylmethyl)imidazole IUPAC Name: 1-benzyl-5-(2,3-dichloropropylsulfanyl)-2-methyl-4-nitroimidazole Traditional Name: 1-benzyl-5-(2,3-dichloropropylthio)-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=CC=C2)SCC(CCl)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C14H15Cl2N3O2S/c1-10-17-13(19(20)21)14(22-9-12(16)7-15)18(10)8-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3