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

Systemtic Name: 2-[4-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]-1-propyl-benzimidazole Openeye Name: 2-[4-[2-(4,4-dimethylthiochroman-6-yl)ethynyl]phenyl]-1-propyl-benzimidazole CAS Name: 2-[4-[2-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]phenyl]-1-propylbenzimidazole IUPAC Name: 2-[4-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]-1-propylbenzimidazole Traditional Name: 2-[4-[2-(4,4-dimethylthiochroman-6-yl)ethynyl]phenyl]-1-propyl-benzimidazole Formula: C29H28N2S MolecularWeight: 436.61102

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N=C1C3=CC=C(C=C3)C#CC4=CC5=C(C=C4)SCCC5(C)C

Isomeric SMILES

CCCN1C2=CC=CC=C2N=C1C3=CC=C(C=C3)C#CC4=CC5=C(C=C4)SCCC5(C)C

InChI

InChI=1S/C29H28N2S/c1-4-18-31-26-8-6-5-7-25(26)30-28(31)23-14-11-21(12-15-23)9-10-22-13-16-27-24(20-22)29(2,3)17-19-32-27/h5-8,11-16,20H,4,17-19H2,1-3H3