5-[2,3-bis(chloranyl)propylsulfanyl]-2-methyl-4-nitro-1-[(3-nitro-4-pentoxy-phenyl)methyl]imidazole

Systemtic Name: 5-[2,3-bis(chloranyl)propylsulfanyl]-2-methyl-4-nitro-1-[(3-nitro-4-pentoxy-phenyl)methyl]imidazole Openeye Name: 5-(2,3-dichloropropylsulfanyl)-2-methyl-4-nitro-1-[(3-nitro-4-pentoxy-phenyl)methyl]imidazole CAS Name: 5-(2,3-dichloropropylthio)-2-methyl-4-nitro-1-[(3-nitro-4-pentoxyphenyl)methyl]imidazole IUPAC Name: 5-(2,3-dichloropropylsulfanyl)-2-methyl-4-nitro-1-[(3-nitro-4-pentoxyphenyl)methyl]imidazole Traditional Name: 1-(4-amoxy-3-nitro-benzyl)-5-(2,3-dichloropropylthio)-2-methyl-4-nitro-imidazole Formula: C19H24Cl2N4O5S MolecularWeight: 491.38866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)CN2C(=NC(=C2SCC(CCl)Cl)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)CN2C(=NC(=C2SCC(CCl)Cl)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C19H24Cl2N4O5S/c1-3-4-5-8-30-17-7-6-14(9-16(17)24(26)27)11-23-13(2)22-18(25(28)29)19(23)31-12-15(21)10-20/h6-7,9,15H,3-5,8,10-12H2,1-2H3