[1-[(2R,3R)-2-[2,4-bis(fluoranyl)phenyl]-3-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-2-oxidanyl-butyl]-1,2,4-triazol-4-ium-4-yl]methyl-oxidanyl-phosphinate

Systemtic Name: [1-[(2R,3R)-2-[2,4-bis(fluoranyl)phenyl]-3-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-2-oxidanyl-butyl]-1,2,4-triazol-4-ium-4-yl]methyl-oxidanyl-phosphinate Openeye Name: [1-[(2R,3R)-3-[4-(4-cyanophenyl)thiazol-2-yl]-2-(2,4-difluorophenyl)-2-hydroxy-butyl]-1,2,4-triazol-4-ium-4-yl]methyl-hydroxy-phosphinate CAS Name: [1-[(2R,3R)-3-[4-(4-cyanophenyl)-2-thiazolyl]-2-(2,4-difluorophenyl)-2-hydroxybutyl]-1,2,4-triazol-4-ium-4-yl]methyl-hydroxyphosphinate IUPAC Name: [1-[(2R,3R)-3-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-2-(2,4-difluorophenyl)-2-hydroxybutyl]-1,2,4-triazol-4-ium-4-yl]methyl-hydroxyphosphinate Traditional Name: [1-[(2R,3R)-3-[4-(4-cyanophenyl)thiazol-2-yl]-2-(2,4-difluorophenyl)-2-hydroxy-butyl]-1,2,4-triazol-4-ium-4-yl]methyl-hydroxy-phosphinate Formula: C23H20F2N5O4PS MolecularWeight: 531.471567

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=CS1)C2=CC=C(C=C2)C#N)C(CN3C=[N+](C=N3)CP(=O)(O)[O-])(C4=C(C=C(C=C4)F)F)O

Isomeric SMILES

C[C@@H](C1=NC(=CS1)C2=CC=C(C=C2)C#N)[C@](CN3C=[N+](C=N3)CP(=O)(O)[O-])(C4=C(C=C(C=C4)F)F)O

InChI

InChI=1S/C23H20F2N5O4PS/c1-15(22-28-21(10-36-22)17-4-2-16(9-26)3-5-17)23(31,19-7-6-18(24)8-20(19)25)11-30-13-29(12-27-30)14-35(32,33)34/h2-8,10,12-13,15,31H,11,14H2,1H3,(H-,32,33,34)/t15-,23+/m0/s1