4-[[3,4-bis(fluoranyl)phenyl]sulfanylmethyl]-7-methyl-6-propan-2-yl-chromen-2-one

Systemtic Name: 4-[[3,4-bis(fluoranyl)phenyl]sulfanylmethyl]-7-methyl-6-propan-2-yl-chromen-2-one Openeye Name: 4-[(3,4-difluorophenyl)sulfanylmethyl]-6-isopropyl-7-methyl-chromen-2-one CAS Name: 4-[[(3,4-difluorophenyl)thio]methyl]-7-methyl-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[(3,4-difluorophenyl)sulfanylmethyl]-7-methyl-6-propan-2-ylchromen-2-one Traditional Name: 4-[[(3,4-difluorophenyl)thio]methyl]-6-isopropyl-7-methyl-coumarin Formula: C20H18F2O2S MolecularWeight: 360.417526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=CC(=C(C=C3)F)F)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=CC(=C(C=C3)F)F)C(C)C

InChI

InChI=1S/C20H18F2O2S/c1-11(2)15-9-16-13(7-20(23)24-19(16)6-12(15)3)10-25-14-4-5-17(21)18(22)8-14/h4-9,11H,10H2,1-3H3