2-(2-tert-butyl-1,3-benzoxathiol-2-yl)-5-(2-phenyl-1,3-benzoxathiol-2-yl)-1H-pyrrole

Systemtic Name: 2-(2-tert-butyl-1,3-benzoxathiol-2-yl)-5-(2-phenyl-1,3-benzoxathiol-2-yl)-1H-pyrrole Openeye Name: 2-(2-tert-butyl-1,3-benzoxathiol-2-yl)-5-(2-phenyl-1,3-benzoxathiol-2-yl)-1H-pyrrole CAS Name: 2-(2-tert-butyl-1,3-benzoxathiol-2-yl)-5-(2-phenyl-1,3-benzoxathiol-2-yl)-1H-pyrrole IUPAC Name: 2-(2-tert-butyl-1,3-benzoxathiol-2-yl)-5-(2-phenyl-1,3-benzoxathiol-2-yl)-1H-pyrrole Traditional Name: 2-(2-tert-butyl-1,3-benzoxathiol-2-yl)-5-(2-phenyl-1,3-benzoxathiol-2-yl)-1H-pyrrole Formula: C28H25NO2S2 MolecularWeight: 471.6336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1(OC2=CC=CC=C2S1)C3=CC=C(N3)C4(OC5=CC=CC=C5S4)C6=CC=CC=C6

Isomeric SMILES

CC(C)(C)C1(OC2=CC=CC=C2S1)C3=CC=C(N3)C4(OC5=CC=CC=C5S4)C6=CC=CC=C6

InChI

InChI=1S/C28H25NO2S2/c1-26(2,3)28(31-21-14-8-10-16-23(21)33-28)25-18-17-24(29-25)27(19-11-5-4-6-12-19)30-20-13-7-9-15-22(20)32-27/h4-18,29H,1-3H3