[2-[2,4-bis(fluoranyl)phenyl]-3-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-1-(1,2,4-triazol-1-yl)butan-2-yl]oxycarbonyloxymethyl 3-(phosphonooxymethyl)benzoate

Systemtic Name: [2-[2,4-bis(fluoranyl)phenyl]-3-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-1-(1,2,4-triazol-1-yl)butan-2-yl]oxycarbonyloxymethyl 3-(phosphonooxymethyl)benzoate Openeye Name: [2-[4-(4-cyanophenyl)thiazol-2-yl]-1-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-ylmethyl)propoxy]carbonyloxymethyl 3-(phosphonooxymethyl)benzoate CAS Name: 3-(phosphonooxymethyl)benzoic acid [[3-[4-(4-cyanophenyl)-2-thiazolyl]-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl]oxy-oxomethoxy]methyl ester IUPAC Name: [3-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl]oxycarbonyloxymethyl 3-(phosphonooxymethyl)benzoate Traditional Name: 3-(phosphonooxymethyl)benzoic acid [2-[4-(4-cyanophenyl)thiazol-2-yl]-1-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-ylmethyl)propoxy]carbonyloxymethyl ester Formula: C32H26F2N5O9PS MolecularWeight: 725.612507

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=CS1)C2=CC=C(C=C2)C#N)C(CN3C=NC=N3)(C4=C(C=C(C=C4)F)F)OC(=O)OCOC(=O)C5=CC(=CC=C5)COP(=O)(O)O

Isomeric SMILES

CC(C1=NC(=CS1)C2=CC=C(C=C2)C#N)C(CN3C=NC=N3)(C4=C(C=C(C=C4)F)F)OC(=O)OCOC(=O)C5=CC(=CC=C5)COP(=O)(O)O

InChI

InChI=1S/C32H26F2N5O9PS/c1-20(29-38-28(15-50-29)23-7-5-21(13-35)6-8-23)32(16-39-18-36-17-37-39,26-10-9-25(33)12-27(26)34)48-31(41)46-19-45-30(40)24-4-2-3-22(11-24)14-47-49(42,43)44/h2-12,15,17-18,20H,14,16,19H2,1H3,(H2,42,43,44)