1-chloranyl-3-[2-methyl-5-nitro-3-[(3-nitro-4-pentoxy-phenyl)methyl]imidazol-4-yl]sulfanyl-propan-2-ol

Systemtic Name: 1-chloranyl-3-[2-methyl-5-nitro-3-[(3-nitro-4-pentoxy-phenyl)methyl]imidazol-4-yl]sulfanyl-propan-2-ol Openeye Name: 1-chloro-3-[2-methyl-5-nitro-3-[(3-nitro-4-pentoxy-phenyl)methyl]imidazol-4-yl]sulfanyl-propan-2-ol CAS Name: 1-chloro-3-[[2-methyl-5-nitro-3-[(3-nitro-4-pentoxyphenyl)methyl]-4-imidazolyl]thio]-2-propanol IUPAC Name: 1-chloro-3-[2-methyl-5-nitro-3-[(3-nitro-4-pentoxyphenyl)methyl]imidazol-4-yl]sulfanylpropan-2-ol Traditional Name: 1-[[3-(4-amoxy-3-nitro-benzyl)-2-methyl-5-nitro-imidazol-4-yl]thio]-3-chloro-propan-2-ol Formula: C19H25ClN4O6S MolecularWeight: 472.943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25ClN4O6S/c1-3-4-5-8-30-17-7-6-14(9-16(17)23(26)27)11-22-13(2)21-18(24(28)29)19(22)31-12-15(25)10-20/h6-7,9,15,25H,3-5,8,10-12H2,1-2H3