3-[3-(4,4-dimethyl-2,3-dihydrothiochromen-8-yl)prop-1-ynyl]benzaldehyde

Systemtic Name: 3-[3-(4,4-dimethyl-2,3-dihydrothiochromen-8-yl)prop-1-ynyl]benzaldehyde Openeye Name: 3-[3-(4,4-dimethylthiochroman-8-yl)prop-1-ynyl]benzaldehyde CAS Name: 3-[3-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-8-yl)prop-1-ynyl]benzaldehyde IUPAC Name: 3-[3-(4,4-dimethyl-2,3-dihydrothiochromen-8-yl)prop-1-ynyl]benzaldehyde Traditional Name: 3-[3-(4,4-dimethylthiochroman-8-yl)prop-1-ynyl]benzaldehyde Formula: C21H20OS MolecularWeight: 320.4479

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCSC2=C1C=CC=C2CC#CC3=CC(=CC=C3)C=O)C

Isomeric SMILES

CC1(CCSC2=C1C=CC=C2CC#CC3=CC(=CC=C3)C=O)C

InChI

InChI=1S/C21H20OS/c1-21(2)12-13-23-20-18(10-5-11-19(20)21)9-4-7-16-6-3-8-17(14-16)15-22/h3,5-6,8,10-11,14-15H,9,12-13H2,1-2H3