8-(4-phenylquinazolin-2-yl)sulfanyloctanoic acid

Systemtic Name: 8-(4-phenylquinazolin-2-yl)sulfanyloctanoic acid Openeye Name: 8-(4-phenylquinazolin-2-yl)sulfanyloctanoic acid CAS Name: 8-[(4-phenyl-2-quinazolinyl)thio]octanoic acid IUPAC Name: 8-(4-phenylquinazolin-2-yl)sulfanyloctanoic acid Traditional Name: 8-[(4-phenylquinazolin-2-yl)thio]caprylic acid Formula: C22H24N2O2S MolecularWeight: 380.50316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NC3=CC=CC=C32)SCCCCCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NC3=CC=CC=C32)SCCCCCCCC(=O)O

InChI

InChI=1S/C22H24N2O2S/c25-20(26)15-7-2-1-3-10-16-27-22-23-19-14-9-8-13-18(19)21(24-22)17-11-5-4-6-12-17/h4-6,8-9,11-14H,1-3,7,10,15-16H2,(H,25,26)