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

Systemtic Name: 5-[(4-ethoxy-3-nitro-phenyl)methylsulfanyl]-2-methyl-4-nitro-1-(phenylmethyl)imidazole Openeye Name: 1-benzyl-5-[(4-ethoxy-3-nitro-phenyl)methylsulfanyl]-2-methyl-4-nitro-imidazole CAS Name: 5-[(4-ethoxy-3-nitrophenyl)methylthio]-2-methyl-4-nitro-1-(phenylmethyl)imidazole IUPAC Name: 1-benzyl-5-[(4-ethoxy-3-nitrophenyl)methylsulfanyl]-2-methyl-4-nitroimidazole Traditional Name: 1-benzyl-5-[(4-ethoxy-3-nitro-benzyl)thio]-2-methyl-4-nitro-imidazole Formula: C20H20N4O5S MolecularWeight: 428.4616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O5S/c1-3-29-18-10-9-16(11-17(18)23(25)26)13-30-20-19(24(27)28)21-14(2)22(20)12-15-7-5-4-6-8-15/h4-11H,3,12-13H2,1-2H3