3-(3-methoxyphenyl)-6-[[4-[1,1,1-tris(fluoranyl)-2-oxidanyl-butan-2-yl]-1,2,3-triazol-1-yl]methyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-(3-methoxyphenyl)-6-[[4-[1,1,1-tris(fluoranyl)-2-oxidanyl-butan-2-yl]-1,2,3-triazol-1-yl]methyl]-1-benzothiophene-2-carboxamide Openeye Name: 6-[[4-[1-hydroxy-1-(trifluoromethyl)propyl]triazol-1-yl]methyl]-3-(3-methoxyphenyl)benzothiophene-2-carboxamide CAS Name: 3-(3-methoxyphenyl)-6-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)-1-triazolyl]methyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-(3-methoxyphenyl)-6-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]-1-benzothiophene-2-carboxamide Traditional Name: 6-[[4-[1-hydroxy-1-(trifluoromethyl)propyl]triazol-1-yl]methyl]-3-(3-methoxyphenyl)benzothiophene-2-carboxamide Formula: C23H21F3N4O3S MolecularWeight: 490.49805

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21F3N4O3S/c1-3-22(32,23(24,25)26)18-12-30(29-28-18)11-13-7-8-16-17(9-13)34-20(21(27)31)19(16)14-5-4-6-15(10-14)33-2/h4-10,12,32H,3,11H2,1-2H3,(H2,27,31)