(2S)-2-(1H-benzimidazol-2-yl)-3-phenyl-propane-1-thiol; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: (2S)-2-(1H-benzimidazol-2-yl)-3-phenyl-propane-1-thiol; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: (2S)-2-(1H-benzimidazol-2-yl)-3-phenyl-propane-1-thiol; 2,2,2-trifluoroacetic acid CAS Name: (2S)-2-(1H-benzimidazol-2-yl)-3-phenyl-1-propanethiol; 2,2,2-trifluoroacetic acid IUPAC Name: (2S)-2-(1H-benzimidazol-2-yl)-3-phenylpropane-1-thiol; 2,2,2-trifluoroacetic acid Traditional Name: (2S)-2-(1H-benzimidazol-2-yl)-3-phenyl-propane-1-thiol; 2,2,2-trifluoroacetic acid Formula: C18H17F3N2O2S MolecularWeight: 382.39999

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CS)C2=NC3=CC=CC=C3N2.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](CS)C2=NC3=CC=CC=C3N2.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C16H16N2S.C2HF3O2/c19-11-13(10-12-6-2-1-3-7-12)16-17-14-8-4-5-9-15(14)18-16;3-2(4,5)1(6)7/h1-9,13,19H,10-11H2,(H,17,18);(H,6,7)/t13-;/m1./s1