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

Systemtic Name: 2-[4-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]-1-methyl-benzimidazole Openeye Name: 2-[4-[2-(4,4-dimethylthiochroman-6-yl)ethynyl]phenyl]-1-methyl-benzimidazole CAS Name: 2-[4-[2-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]phenyl]-1-methylbenzimidazole IUPAC Name: 2-[4-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]-1-methylbenzimidazole Traditional Name: 2-[4-[2-(4,4-dimethylthiochroman-6-yl)ethynyl]phenyl]-1-methyl-benzimidazole Formula: C27H24N2S MolecularWeight: 408.55786

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCSC2=C1C=C(C=C2)C#CC3=CC=C(C=C3)C4=NC5=CC=CC=C5N4C)C

Isomeric SMILES

CC1(CCSC2=C1C=C(C=C2)C#CC3=CC=C(C=C3)C4=NC5=CC=CC=C5N4C)C

InChI

InChI=1S/C27H24N2S/c1-27(2)16-17-30-25-15-12-20(18-22(25)27)9-8-19-10-13-21(14-11-19)26-28-23-6-4-5-7-24(23)29(26)3/h4-7,10-15,18H,16-17H2,1-3H3