5-[(4-butoxy-3-nitro-phenyl)methylsulfanyl]-2-methyl-4-nitro-1-(phenylmethyl)imidazole

Systemtic Name: 5-[(4-butoxy-3-nitro-phenyl)methylsulfanyl]-2-methyl-4-nitro-1-(phenylmethyl)imidazole Openeye Name: 1-benzyl-5-[(4-butoxy-3-nitro-phenyl)methylsulfanyl]-2-methyl-4-nitro-imidazole CAS Name: 5-[(4-butoxy-3-nitrophenyl)methylthio]-2-methyl-4-nitro-1-(phenylmethyl)imidazole IUPAC Name: 1-benzyl-5-[(4-butoxy-3-nitrophenyl)methylsulfanyl]-2-methyl-4-nitroimidazole Traditional Name: 1-benzyl-5-[(4-butoxy-3-nitro-benzyl)thio]-2-methyl-4-nitro-imidazole Formula: C22H24N4O5S MolecularWeight: 456.51476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CSC2=C(N=C(N2CC3=CC=CC=C3)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CSC2=C(N=C(N2CC3=CC=CC=C3)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O5S/c1-3-4-12-31-20-11-10-18(13-19(20)25(27)28)15-32-22-21(26(29)30)23-16(2)24(22)14-17-8-6-5-7-9-17/h5-11,13H,3-4,12,14-15H2,1-2H3