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

Systemtic Name: 2-[4-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]-1-ethyl-benzimidazole Openeye Name: 2-[4-[2-(4,4-dimethylthiochroman-6-yl)ethynyl]phenyl]-1-ethyl-benzimidazole CAS Name: 2-[4-[2-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]phenyl]-1-ethylbenzimidazole IUPAC Name: 2-[4-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]-1-ethylbenzimidazole Traditional Name: 2-[4-[2-(4,4-dimethylthiochroman-6-yl)ethynyl]phenyl]-1-ethyl-benzimidazole Formula: C28H26N2S MolecularWeight: 422.58444

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1C3=CC=C(C=C3)C#CC4=CC5=C(C=C4)SCCC5(C)C

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1C3=CC=C(C=C3)C#CC4=CC5=C(C=C4)SCCC5(C)C

InChI

InChI=1S/C28H26N2S/c1-4-30-25-8-6-5-7-24(25)29-27(30)22-14-11-20(12-15-22)9-10-21-13-16-26-23(19-21)28(2,3)17-18-31-26/h5-8,11-16,19H,4,17-18H2,1-3H3