S-(6-chloranyl-4-phenyl-quinazolin-2-yl) 3-methoxybenzenecarbothioate

Systemtic Name: S-(6-chloranyl-4-phenyl-quinazolin-2-yl) 3-methoxybenzenecarbothioate Openeye Name: S-(6-chloro-4-phenyl-quinazolin-2-yl) 3-methoxybenzenecarbothioate CAS Name: 3-methoxybenzenecarbothioic acid S-(6-chloro-4-phenyl-2-quinazolinyl) ester IUPAC Name: S-(6-chloro-4-phenylquinazolin-2-yl) 3-methoxybenzenecarbothioate Traditional Name: 3-methoxythiobenzoic acid S-(6-chloro-4-phenyl-quinazolin-2-yl) ester Formula: C22H15ClN2O2S MolecularWeight: 406.8847

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)SC2=NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)SC2=NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4

InChI

InChI=1S/C22H15ClN2O2S/c1-27-17-9-5-8-15(12-17)21(26)28-22-24-19-11-10-16(23)13-18(19)20(25-22)14-6-3-2-4-7-14/h2-13H,1H3