6-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridine-3-carbaldehyde

Systemtic Name: 6-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridine-3-carbaldehyde Openeye Name: 6-[2-(4,4-dimethylthiochroman-6-yl)ethynyl]pyridine-3-carbaldehyde CAS Name: 6-[2-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]-3-pyridinecarboxaldehyde IUPAC Name: 6-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridine-3-carbaldehyde Traditional Name: 6-[2-(4,4-dimethylthiochroman-6-yl)ethynyl]nicotinaldehyde Formula: C19H17NOS MolecularWeight: 307.40938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCSC2=C1C=C(C=C2)C#CC3=NC=C(C=C3)C=O)C

Isomeric SMILES

CC1(CCSC2=C1C=C(C=C2)C#CC3=NC=C(C=C3)C=O)C

InChI

InChI=1S/C19H17NOS/c1-19(2)9-10-22-18-8-5-14(11-17(18)19)3-6-16-7-4-15(13-21)12-20-16/h4-5,7-8,11-13H,9-10H2,1-2H3