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

Systemtic Name: 2-methyl-4-nitro-5-[(3-nitro-4-propoxy-phenyl)methylsulfanyl]-1-(phenylmethyl)imidazole Openeye Name: 1-benzyl-2-methyl-4-nitro-5-[(3-nitro-4-propoxy-phenyl)methylsulfanyl]imidazole CAS Name: 2-methyl-4-nitro-5-[(3-nitro-4-propoxyphenyl)methylthio]-1-(phenylmethyl)imidazole IUPAC Name: 1-benzyl-2-methyl-4-nitro-5-[(3-nitro-4-propoxyphenyl)methylsulfanyl]imidazole Traditional Name: 1-benzyl-2-methyl-4-nitro-5-[(3-nitro-4-propoxy-benzyl)thio]imidazole Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)CSC2=C(N=C(N2CC3=CC=CC=C3)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCOC1=C(C=C(C=C1)CSC2=C(N=C(N2CC3=CC=CC=C3)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O5S/c1-3-11-30-19-10-9-17(12-18(19)24(26)27)14-31-21-20(25(28)29)22-15(2)23(21)13-16-7-5-4-6-8-16/h4-10,12H,3,11,13-14H2,1-2H3