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

Systemtic Name: (2S)-1-[3-[(4-butoxy-3-nitro-phenyl)methyl]-2-methyl-5-nitro-imidazol-4-yl]sulfanyl-3-methoxy-propan-2-ol Openeye Name: (2S)-1-[3-[(4-butoxy-3-nitro-phenyl)methyl]-2-methyl-5-nitro-imidazol-4-yl]sulfanyl-3-methoxy-propan-2-ol CAS Name: (2S)-1-[[3-[(4-butoxy-3-nitrophenyl)methyl]-2-methyl-5-nitro-4-imidazolyl]thio]-3-methoxy-2-propanol IUPAC Name: (2S)-1-[3-[(4-butoxy-3-nitrophenyl)methyl]-2-methyl-5-nitroimidazol-4-yl]sulfanyl-3-methoxypropan-2-ol Traditional Name: (2S)-1-[[3-(4-butoxy-3-nitro-benzyl)-2-methyl-5-nitro-imidazol-4-yl]thio]-3-methoxy-propan-2-ol Formula: C19H26N4O7S MolecularWeight: 454.49734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CN2C(=NC(=C2SCC(COC)O)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CN2C(=NC(=C2SC[C@H](COC)O)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C19H26N4O7S/c1-4-5-8-30-17-7-6-14(9-16(17)22(25)26)10-21-13(2)20-18(23(27)28)19(21)31-12-15(24)11-29-3/h6-7,9,15,24H,4-5,8,10-12H2,1-3H3/t15-/m0/s1