5,5,8,8-tetramethyl-2-(pyridin-2-ylmethylsulfanyl)-6,7-dihydro-1H-benzo[f]benzimidazole

Systemtic Name: 5,5,8,8-tetramethyl-2-(pyridin-2-ylmethylsulfanyl)-6,7-dihydro-1H-benzo[f]benzimidazole Openeye Name: 5,5,8,8-tetramethyl-2-(2-pyridylmethylsulfanyl)-6,7-dihydro-1H-benzo[f]benzimidazole CAS Name: 5,5,8,8-tetramethyl-2-(2-pyridinylmethylthio)-6,7-dihydro-1H-benzo[f]benzimidazole IUPAC Name: 5,5,8,8-tetramethyl-2-(pyridin-2-ylmethylsulfanyl)-6,7-dihydro-1H-benzo[f]benzimidazole Traditional Name: 5,5,8,8-tetramethyl-2-(2-pyridylmethylthio)-6,7-dihydro-1H-benzo[f]benzimidazole Formula: C21H25N3S MolecularWeight: 351.5083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(C2=CC3=C(C=C21)NC(=N3)SCC4=CC=CC=N4)(C)C)C

Isomeric SMILES

CC1(CCC(C2=CC3=C(C=C21)NC(=N3)SCC4=CC=CC=N4)(C)C)C

InChI

InChI=1S/C21H25N3S/c1-20(2)8-9-21(3,4)16-12-18-17(11-15(16)20)23-19(24-18)25-13-14-7-5-6-10-22-14/h5-7,10-12H,8-9,13H2,1-4H3,(H,23,24)