2-[4-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]-1H-benzimidazole

Systemtic Name: 2-[4-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]-1H-benzimidazole Openeye Name: 2-[4-[2-(4,4-dimethylthiochroman-6-yl)ethynyl]phenyl]-1H-benzimidazole CAS Name: 2-[4-[2-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]phenyl]-1H-benzimidazole IUPAC Name: 2-[4-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]-1H-benzimidazole Traditional Name: 2-[4-[2-(4,4-dimethylthiochroman-6-yl)ethynyl]phenyl]-1H-benzimidazole Formula: C26H22N2S MolecularWeight: 394.53128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCSC2=C1C=C(C=C2)C#CC3=CC=C(C=C3)C4=NC5=CC=CC=C5N4)C

Isomeric SMILES

CC1(CCSC2=C1C=C(C=C2)C#CC3=CC=C(C=C3)C4=NC5=CC=CC=C5N4)C

InChI

InChI=1S/C26H22N2S/c1-26(2)15-16-29-24-14-11-19(17-21(24)26)8-7-18-9-12-20(13-10-18)25-27-22-5-3-4-6-23(22)28-25/h3-6,9-14,17H,15-16H2,1-2H3,(H,27,28)