6-[1-[2,6-bis(fluoranyl)phenyl]ethyl]-5-methyl-2-[(E)-3-(4-nitrophenyl)prop-2-enyl]sulfanyl-1H-pyrimidin-4-one

Systemtic Name: 6-[1-[2,6-bis(fluoranyl)phenyl]ethyl]-5-methyl-2-[(E)-3-(4-nitrophenyl)prop-2-enyl]sulfanyl-1H-pyrimidin-4-one Openeye Name: 6-[1-(2,6-difluorophenyl)ethyl]-5-methyl-2-[(E)-3-(4-nitrophenyl)allyl]sulfanyl-1H-pyrimidin-4-one CAS Name: 6-[1-(2,6-difluorophenyl)ethyl]-5-methyl-2-[[(E)-3-(4-nitrophenyl)prop-2-enyl]thio]-1H-pyrimidin-4-one IUPAC Name: 6-[1-(2,6-difluorophenyl)ethyl]-5-methyl-2-[(E)-3-(4-nitrophenyl)prop-2-enyl]sulfanyl-1H-pyrimidin-4-one Traditional Name: 6-[1-(2,6-difluorophenyl)ethyl]-5-methyl-2-[[(E)-3-(4-nitrophenyl)allyl]thio]-1H-pyrimidin-4-one Formula: C22H19F2N3O3S MolecularWeight: 443.466366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)SCC=CC2=CC=C(C=C2)[N+](=O)[O-])C(C)C3=C(C=CC=C3F)F

Isomeric SMILES

CC1=C(NC(=NC1=O)SC/C=C/C2=CC=C(C=C2)[N+](=O)[O-])C(C)C3=C(C=CC=C3F)F

InChI

InChI=1S/C22H19F2N3O3S/c1-13(19-17(23)6-3-7-18(19)24)20-14(2)21(28)26-22(25-20)31-12-4-5-15-8-10-16(11-9-15)27(29)30/h3-11,13H,12H2,1-2H3,(H,25,26,28)/b5-4+