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

Systemtic Name: 4-[3-(4,4-dimethyl-2,3-dihydrothiochromen-8-yl)prop-1-ynyl]benzaldehyde Openeye Name: 4-[3-(4,4-dimethylthiochroman-8-yl)prop-1-ynyl]benzaldehyde CAS Name: 4-[3-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-8-yl)prop-1-ynyl]benzaldehyde IUPAC Name: 4-[3-(4,4-dimethyl-2,3-dihydrothiochromen-8-yl)prop-1-ynyl]benzaldehyde Traditional Name: 4-[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=C(C=C3)C=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H20OS/c1-21(2)13-14-23-20-18(7-4-8-19(20)21)6-3-5-16-9-11-17(15-22)12-10-16/h4,7-12,15H,6,13-14H2,1-2H3