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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C3=CC=CC=C3C=C2)C(=C1)SC4=CC=CC=C4C(=O)O

Isomeric SMILES

CC1=NC2=C(C3=CC=CC=C3C=C2)C(=C1)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)20-15-7-3-2-6-14(15)10-11-17(20)22-13/h2-12H,1H3,(H,23,24)