3-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]-1H-imidazole-2-thione

Systemtic Name: 3-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]-1H-imidazole-2-thione Openeye Name: 3-[4-(3-chloro-4-fluoro-anilino)-7-methoxy-quinazolin-6-yl]-1H-imidazole-2-thione CAS Name: 3-[4-(3-chloro-4-fluoroanilino)-7-methoxy-6-quinazolinyl]-1H-imidazole-2-thione IUPAC Name: 3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-1H-imidazole-2-thione Traditional Name: 1-[4-(3-chloro-4-fluoro-anilino)-7-methoxy-quinazolin-6-yl]-4-imidazoline-2-thione Formula: C18H13ClFN5OS MolecularWeight: 401.845123

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)N4C=CNC4=S

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)N4C=CNC4=S

InChI

InChI=1S/C18H13ClFN5OS/c1-26-16-8-14-11(7-15(16)25-5-4-21-18(25)27)17(23-9-22-14)24-10-2-3-13(20)12(19)6-10/h2-9H,1H3,(H,21,27)(H,22,23,24)