5-[(5-chloranyl-2-methoxy-phenyl)methylsulfanyl]-2-methyl-4-nitro-1-(phenylmethyl)imidazole

Systemtic Name: 5-[(5-chloranyl-2-methoxy-phenyl)methylsulfanyl]-2-methyl-4-nitro-1-(phenylmethyl)imidazole Openeye Name: 1-benzyl-5-[(5-chloro-2-methoxy-phenyl)methylsulfanyl]-2-methyl-4-nitro-imidazole CAS Name: 5-[(5-chloro-2-methoxyphenyl)methylthio]-2-methyl-4-nitro-1-(phenylmethyl)imidazole IUPAC Name: 1-benzyl-5-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-2-methyl-4-nitroimidazole Traditional Name: 1-benzyl-5-[(5-chloro-2-methoxy-benzyl)thio]-2-methyl-4-nitro-imidazole Formula: C19H18ClN3O3S MolecularWeight: 403.88252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1CC2=CC=CC=C2)SCC3=C(C=CC(=C3)Cl)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(N1CC2=CC=CC=C2)SCC3=C(C=CC(=C3)Cl)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H18ClN3O3S/c1-13-21-18(23(24)25)19(22(13)11-14-6-4-3-5-7-14)27-12-15-10-16(20)8-9-17(15)26-2/h3-10H,11-12H2,1-2H3