2-[[3,4-bis(fluoranyl)phenyl]sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one

Systemtic Name: 2-[[3,4-bis(fluoranyl)phenyl]sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one Openeye Name: 2-[(3,4-difluorophenyl)sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one CAS Name: 2-[[(3,4-difluorophenyl)thio]methyl]-6,7-dimethoxy-1H-quinazolin-4-one IUPAC Name: 2-[(3,4-difluorophenyl)sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one Traditional Name: 2-[[(3,4-difluorophenyl)thio]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Formula: C17H14F2N2O3S MolecularWeight: 364.366466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CSC3=CC(=C(C=C3)F)F)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CSC3=CC(=C(C=C3)F)F)OC

InChI

InChI=1S/C17H14F2N2O3S/c1-23-14-6-10-13(7-15(14)24-2)20-16(21-17(10)22)8-25-9-3-4-11(18)12(19)5-9/h3-7H,8H2,1-2H3,(H,20,21,22)