1-[4-[2-(4,4-diethyl-7-methyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]ethanone

Systemtic Name: 1-[4-[2-(4,4-diethyl-7-methyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]ethanone Openeye Name: 1-[4-[2-(4,4-diethyl-7-methyl-thiochroman-6-yl)ethynyl]phenyl]ethanone CAS Name: 1-[4-[2-(4,4-diethyl-7-methyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]phenyl]ethanone IUPAC Name: 1-[4-[2-(4,4-diethyl-7-methyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]ethanone Traditional Name: 1-[4-[2-(4,4-diethyl-7-methyl-thiochroman-6-yl)ethynyl]phenyl]ethanone Formula: C24H26OS MolecularWeight: 362.52764

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCSC2=C1C=C(C(=C2)C)C#CC3=CC=C(C=C3)C(=O)C)CC

Isomeric SMILES

CCC1(CCSC2=C1C=C(C(=C2)C)C#CC3=CC=C(C=C3)C(=O)C)CC

InChI

InChI=1S/C24H26OS/c1-5-24(6-2)13-14-26-23-15-17(3)21(16-22(23)24)12-9-19-7-10-20(11-8-19)18(4)25/h7-8,10-11,15-16H,5-6,13-14H2,1-4H3