4-[[3,4-bis(fluoranyl)phenyl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[[3,4-bis(fluoranyl)phenyl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[(3,4-difluorophenyl)sulfanylmethyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[(3,4-difluorophenyl)thio]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[(3,4-difluorophenyl)sulfanylmethyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[(3,4-difluorophenyl)thio]methyl]-7,8-dimethyl-coumarin Formula: C18H14F2O2S MolecularWeight: 332.364366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=CC(=C(C=C3)F)F)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=CC(=C(C=C3)F)F)C

InChI

InChI=1S/C18H14F2O2S/c1-10-3-5-14-12(7-17(21)22-18(14)11(10)2)9-23-13-4-6-15(19)16(20)8-13/h3-8H,9H2,1-2H3