6-chloranyl-2-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-3-prop-2-enyl-quinazolin-4-one

Systemtic Name: 6-chloranyl-2-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-6-chloro-2-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]quinazolin-4-one CAS Name: 6-chloro-2-[(3-fluoro-4-methoxyphenyl)methylthio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 6-chloro-2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-6-chloro-2-[(3-fluoro-4-methoxy-benzyl)thio]quinazolin-4-one Formula: C19H16ClFN2O2S MolecularWeight: 390.858943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC=C)F

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC=C)F

InChI

InChI=1S/C19H16ClFN2O2S/c1-3-8-23-18(24)14-10-13(20)5-6-16(14)22-19(23)26-11-12-4-7-17(25-2)15(21)9-12/h3-7,9-10H,1,8,11H2,2H3