2-[2-(4-tert-butylphenyl)quinolin-3-yl]sulfanylethanal

Systemtic Name: 2-[2-(4-tert-butylphenyl)quinolin-3-yl]sulfanylethanal Openeye Name: 2-[[2-(4-tert-butylphenyl)-3-quinolyl]sulfanyl]acetaldehyde CAS Name: 2-[[2-(4-tert-butylphenyl)-3-quinolinyl]thio]acetaldehyde IUPAC Name: 2-[2-(4-tert-butylphenyl)quinolin-3-yl]sulfanylacetaldehyde Traditional Name: 2-[[2-(4-tert-butylphenyl)-3-quinolyl]thio]acetaldehyde Formula: C21H21NOS MolecularWeight: 335.46254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C=C2SCC=O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C=C2SCC=O

InChI

InChI=1S/C21H21NOS/c1-21(2,3)17-10-8-15(9-11-17)20-19(24-13-12-23)14-16-6-4-5-7-18(16)22-20/h4-12,14H,13H2,1-3H3