(2S)-1-methoxy-3-[2-methyl-5-nitro-3-[(3-nitro-4-propoxy-phenyl)methyl]imidazol-4-yl]sulfanyl-propan-2-ol

Systemtic Name: (2S)-1-methoxy-3-[2-methyl-5-nitro-3-[(3-nitro-4-propoxy-phenyl)methyl]imidazol-4-yl]sulfanyl-propan-2-ol Openeye Name: (2S)-1-methoxy-3-[2-methyl-5-nitro-3-[(3-nitro-4-propoxy-phenyl)methyl]imidazol-4-yl]sulfanyl-propan-2-ol CAS Name: (2S)-1-methoxy-3-[[2-methyl-5-nitro-3-[(3-nitro-4-propoxyphenyl)methyl]-4-imidazolyl]thio]-2-propanol IUPAC Name: (2S)-1-methoxy-3-[2-methyl-5-nitro-3-[(3-nitro-4-propoxyphenyl)methyl]imidazol-4-yl]sulfanylpropan-2-ol Traditional Name: (2S)-1-methoxy-3-[[2-methyl-5-nitro-3-(3-nitro-4-propoxy-benzyl)imidazol-4-yl]thio]propan-2-ol Formula: C18H24N4O7S MolecularWeight: 440.47076

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)CN2C(=NC(=C2SCC(COC)O)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=C(C=C(C=C1)CN2C(=NC(=C2SC[C@H](COC)O)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C18H24N4O7S/c1-4-7-29-16-6-5-13(8-15(16)21(24)25)9-20-12(2)19-17(22(26)27)18(20)30-11-14(23)10-28-3/h5-6,8,14,23H,4,7,9-11H2,1-3H3/t14-/m0/s1