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

Systemtic Name: 1-butyl-2-[4-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]benzimidazole Openeye Name: 1-butyl-2-[4-[2-(4,4-dimethylthiochroman-6-yl)ethynyl]phenyl]benzimidazole CAS Name: 1-butyl-2-[4-[2-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]phenyl]benzimidazole IUPAC Name: 1-butyl-2-[4-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]benzimidazole Traditional Name: 1-butyl-2-[4-[2-(4,4-dimethylthiochroman-6-yl)ethynyl]phenyl]benzimidazole Formula: C30H30N2S MolecularWeight: 450.6376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2N=C1C3=CC=C(C=C3)C#CC4=CC5=C(C=C4)SCCC5(C)C

Isomeric SMILES

CCCCN1C2=CC=CC=C2N=C1C3=CC=C(C=C3)C#CC4=CC5=C(C=C4)SCCC5(C)C

InChI

InChI=1S/C30H30N2S/c1-4-5-19-32-27-9-7-6-8-26(27)31-29(32)24-15-12-22(13-16-24)10-11-23-14-17-28-25(21-23)30(2,3)18-20-33-28/h6-9,12-17,21H,4-5,18-20H2,1-3H3