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

Systemtic Name: 5-[(5-chloranyl-2-ethoxy-phenyl)methylsulfanyl]-2-methyl-4-nitro-1-(phenylmethyl)imidazole Openeye Name: 1-benzyl-5-[(5-chloro-2-ethoxy-phenyl)methylsulfanyl]-2-methyl-4-nitro-imidazole CAS Name: 5-[(5-chloro-2-ethoxyphenyl)methylthio]-2-methyl-4-nitro-1-(phenylmethyl)imidazole IUPAC Name: 1-benzyl-5-[(5-chloro-2-ethoxyphenyl)methylsulfanyl]-2-methyl-4-nitroimidazole Traditional Name: 1-benzyl-5-[(5-chloro-2-ethoxy-benzyl)thio]-2-methyl-4-nitro-imidazole Formula: C20H20ClN3O3S MolecularWeight: 417.9091

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Cl)CSC2=C(N=C(N2CC3=CC=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)Cl)CSC2=C(N=C(N2CC3=CC=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H20ClN3O3S/c1-3-27-18-10-9-17(21)11-16(18)13-28-20-19(24(25)26)22-14(2)23(20)12-15-7-5-4-6-8-15/h4-11H,3,12-13H2,1-2H3