4-[2-[(2R,3R)-3-[2,4-bis(fluoranyl)phenyl]-3-oxidanyl-4-(1,2,4-triazol-4-yl)butan-2-yl]-1,3-thiazol-4-yl]benzenecarbonitrile

Systemtic Name: 4-[2-[(2R,3R)-3-[2,4-bis(fluoranyl)phenyl]-3-oxidanyl-4-(1,2,4-triazol-4-yl)butan-2-yl]-1,3-thiazol-4-yl]benzenecarbonitrile Openeye Name: 4-[2-[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-4-yl)propyl]thiazol-4-yl]benzonitrile CAS Name: 4-[2-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-4-yl)butan-2-yl]-4-thiazolyl]benzonitrile IUPAC Name: 4-[2-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-4-yl)butan-2-yl]-1,3-thiazol-4-yl]benzonitrile Traditional Name: 4-[2-[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-4-yl)propyl]thiazol-4-yl]benzonitrile Formula: C22H17F2N5OS MolecularWeight: 437.465086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=CS1)C2=CC=C(C=C2)C#N)C(CN3C=NN=C3)(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=NN=C3)(C4=C(C=C(C=C4)F)F)O

InChI

InChI=1S/C22H17F2N5OS/c1-14(21-28-20(10-31-21)16-4-2-15(9-25)3-5-16)22(30,11-29-12-26-27-13-29)18-7-6-17(23)8-19(18)24/h2-8,10,12-14,30H,11H2,1H3/t14-,22+/m0/s1