2-(1-methylbenzo[f]quinolin-3-yl)sulfanylbenzoic acid

Systemtic Name: 2-(1-methylbenzo[f]quinolin-3-yl)sulfanylbenzoic acid Openeye Name: 2-(1-methylbenzo[f]quinolin-3-yl)sulfanylbenzoic acid CAS Name: 2-[(1-methyl-3-benzo[f]quinolinyl)thio]benzoic acid IUPAC Name: 2-(1-methylbenzo[f]quinolin-3-yl)sulfanylbenzoic acid Traditional Name: 2-[(1-methylbenzo[f]quinolin-3-yl)thio]benzoic acid Formula: C21H15NO2S MolecularWeight: 345.4143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C3=CC=CC=C3C=C2)SC4=CC=CC=C4C(=O)O

Isomeric SMILES

CC1=CC(=NC2=C1C3=CC=CC=C3C=C2)SC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C21H15NO2S/c1-13-12-19(25-18-9-5-4-8-16(18)21(23)24)22-17-11-10-14-6-2-3-7-15(14)20(13)17/h2-12H,1H3,(H,23,24)