9-(1H-benzimidazol-2-ylmethyl)-9H-thioxanthene 10,10-dioxide

Systemtic Name: 9-(1H-benzimidazol-2-ylmethyl)-9H-thioxanthene 10,10-dioxide Openeye Name: 9-(1H-benzimidazol-2-ylmethyl)-9H-thioxanthene 10,10-dioxide CAS Name: 9-(1H-benzimidazol-2-ylmethyl)-9H-thioxanthene 10,10-dioxide IUPAC Name: 9-(1H-benzimidazol-2-ylmethyl)-9H-thioxanthene 10,10-dioxide Traditional Name: 9-(1H-benzimidazol-2-ylmethyl)-9H-thioxanthene 10,10-dioxide Formula: C21H16N2O2S MolecularWeight: 360.42894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C3S2(=O)=O)CC4=NC5=CC=CC=C5N4

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C3S2(=O)=O)CC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C21H16N2O2S/c24-26(25)19-11-5-1-7-14(19)16(15-8-2-6-12-20(15)26)13-21-22-17-9-3-4-10-18(17)23-21/h1-12,16H,13H2,(H,22,23)