2-[1-[[3-(3-chlorophenyl)-2-methylsulfonyl-1-benzothiophen-6-yl]methyl]-1,2,3-triazol-4-yl]-1,1,1-tris(fluoranyl)butan-2-ol

Systemtic Name: 2-[1-[[3-(3-chlorophenyl)-2-methylsulfonyl-1-benzothiophen-6-yl]methyl]-1,2,3-triazol-4-yl]-1,1,1-tris(fluoranyl)butan-2-ol Openeye Name: 2-[1-[[3-(3-chlorophenyl)-2-methylsulfonyl-benzothiophen-6-yl]methyl]triazol-4-yl]-1,1,1-trifluoro-butan-2-ol CAS Name: 2-[1-[[3-(3-chlorophenyl)-2-methylsulfonyl-1-benzothiophen-6-yl]methyl]-4-triazolyl]-1,1,1-trifluoro-2-butanol IUPAC Name: 2-[1-[[3-(3-chlorophenyl)-2-methylsulfonyl-1-benzothiophen-6-yl]methyl]triazol-4-yl]-1,1,1-trifluorobutan-2-ol Traditional Name: 2-[1-[[3-(3-chlorophenyl)-2-mesyl-benzothiophen-6-yl]methyl]triazol-4-yl]-1,1,1-trifluoro-butan-2-ol Formula: C22H19ClF3N3O3S2 MolecularWeight: 529.98277

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CN(N=N1)CC2=CC3=C(C=C2)C(=C(S3)S(=O)(=O)C)C4=CC(=CC=C4)Cl)(C(F)(F)F)O

Isomeric SMILES

CCC(C1=CN(N=N1)CC2=CC3=C(C=C2)C(=C(S3)S(=O)(=O)C)C4=CC(=CC=C4)Cl)(C(F)(F)F)O

InChI

InChI=1S/C22H19ClF3N3O3S2/c1-3-21(30,22(24,25)26)18-12-29(28-27-18)11-13-7-8-16-17(9-13)33-20(34(2,31)32)19(16)14-5-4-6-15(23)10-14/h4-10,12,30H,3,11H2,1-2H3