3-[3,5-bis(chloranyl)-4-[4-(2-methylsulfanylpyrimidin-4-yl)-1-oxidanyl-5-(3-phenylmethoxyphenyl)imidazol-2-yl]phenoxy]propane-1,2-diol

Systemtic Name: 3-[3,5-bis(chloranyl)-4-[4-(2-methylsulfanylpyrimidin-4-yl)-1-oxidanyl-5-(3-phenylmethoxyphenyl)imidazol-2-yl]phenoxy]propane-1,2-diol Openeye Name: 3-[4-[5-(3-benzyloxyphenyl)-1-hydroxy-4-(2-methylsulfanylpyrimidin-4-yl)imidazol-2-yl]-3,5-dichloro-phenoxy]propane-1,2-diol CAS Name: 3-[3,5-dichloro-4-[1-hydroxy-4-[2-(methylthio)-4-pyrimidinyl]-5-(3-phenylmethoxyphenyl)-2-imidazolyl]phenoxy]propane-1,2-diol IUPAC Name: 3-[3,5-dichloro-4-[1-hydroxy-4-(2-methylsulfanylpyrimidin-4-yl)-5-(3-phenylmethoxyphenyl)imidazol-2-yl]phenoxy]propane-1,2-diol Traditional Name: 3-[4-[5-(3-benzoxyphenyl)-1-hydroxy-4-[2-(methylthio)pyrimidin-4-yl]imidazol-2-yl]-3,5-dichloro-phenoxy]propane-1,2-diol Formula: C30H26Cl2N4O5S MolecularWeight: 625.52224

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=CC(=N1)C2=C(N(C(=N2)C3=C(C=C(C=C3Cl)OCC(CO)O)Cl)O)C4=CC(=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

CSC1=NC=CC(=N1)C2=C(N(C(=N2)C3=C(C=C(C=C3Cl)OCC(CO)O)Cl)O)C4=CC(=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C30H26Cl2N4O5S/c1-42-30-33-11-10-25(34-30)27-28(19-8-5-9-21(12-19)40-16-18-6-3-2-4-7-18)36(39)29(35-27)26-23(31)13-22(14-24(26)32)41-17-20(38)15-37/h2-14,20,37-39H,15-17H2,1H3