5-(1,3-benzodioxol-5-yl)-3-[3-(trifluoromethyl)phenyl]-1H-imidazole-2-thione

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-3-[3-(trifluoromethyl)phenyl]-1H-imidazole-2-thione Openeye Name: 5-(1,3-benzodioxol-5-yl)-3-[3-(trifluoromethyl)phenyl]-1H-imidazole-2-thione CAS Name: 5-(1,3-benzodioxol-5-yl)-3-[3-(trifluoromethyl)phenyl]-1H-imidazole-2-thione IUPAC Name: 5-(1,3-benzodioxol-5-yl)-3-[3-(trifluoromethyl)phenyl]-1H-imidazole-2-thione Traditional Name: 4-(1,3-benzodioxol-5-yl)-1-[3-(trifluoromethyl)phenyl]-4-imidazoline-2-thione Formula: C17H11F3N2O2S MolecularWeight: 364.34165

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CN(C(=S)N3)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CN(C(=S)N3)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C17H11F3N2O2S/c18-17(19,20)11-2-1-3-12(7-11)22-8-13(21-16(22)25)10-4-5-14-15(6-10)24-9-23-14/h1-8H,9H2,(H,21,25)