phenyl 2-(6-chloranyl-2-phenyl-quinazolin-4-yl)sulfanylethanoate

Systemtic Name: phenyl 2-(6-chloranyl-2-phenyl-quinazolin-4-yl)sulfanylethanoate Openeye Name: phenyl 2-(6-chloro-2-phenyl-quinazolin-4-yl)sulfanylacetate CAS Name: 2-[(6-chloro-2-phenyl-4-quinazolinyl)thio]acetic acid phenyl ester IUPAC Name: phenyl 2-(6-chloro-2-phenylquinazolin-4-yl)sulfanylacetate Traditional Name: 2-[(6-chloro-2-phenyl-quinazolin-4-yl)thio]acetic acid phenyl ester Formula: C22H15ClN2O2S MolecularWeight: 406.8847

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)C(=N2)SCC(=O)OC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)C(=N2)SCC(=O)OC4=CC=CC=C4

InChI

InChI=1S/C22H15ClN2O2S/c23-16-11-12-19-18(13-16)22(25-21(24-19)15-7-3-1-4-8-15)28-14-20(26)27-17-9-5-2-6-10-17/h1-13H,14H2