2-[[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]methylsulfanyl]-7-chloranyl-3-prop-2-enyl-quinazolin-4-one

Systemtic Name: 2-[[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]methylsulfanyl]-7-chloranyl-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-7-chloro-2-[[4-(difluoromethoxy)-3-methoxy-phenyl]methylsulfanyl]quinazolin-4-one CAS Name: 7-chloro-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylthio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 7-chloro-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-7-chloro-2-[[4-(difluoromethoxy)-3-methoxy-benzyl]thio]quinazolin-4-one Formula: C20H17ClF2N2O3S MolecularWeight: 438.875386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClF2N2O3S/c1-3-8-25-18(26)14-6-5-13(21)10-15(14)24-20(25)29-11-12-4-7-16(28-19(22)23)17(9-12)27-2/h3-7,9-10,19H,1,8,11H2,2H3