(2E)-1-(4-fluorophenyl)-2-[(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylidene]butane-1,3-dione

Systemtic Name: (2E)-1-(4-fluorophenyl)-2-[(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylidene]butane-1,3-dione Openeye Name: (2E)-1-(4-fluorophenyl)-2-[(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylene]butane-1,3-dione CAS Name: (2E)-1-(4-fluorophenyl)-2-[[3-nitro-4-(2-pyrimidinylthio)phenyl]methylidene]butane-1,3-dione IUPAC Name: (2E)-1-(4-fluorophenyl)-2-[(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylidene]butane-1,3-dione Traditional Name: (2E)-1-(4-fluorophenyl)-2-[3-nitro-4-(2-pyrimidylthio)benzylidene]butane-1,3-dione Formula: C21H14FN3O4S MolecularWeight: 423.416963

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC(=C(C=C1)SC2=NC=CC=N2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(=O)/C(=C\C1=CC(=C(C=C1)SC2=NC=CC=N2)[N+](=O)[O-])/C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H14FN3O4S/c1-13(26)17(20(27)15-4-6-16(22)7-5-15)11-14-3-8-19(18(12-14)25(28)29)30-21-23-9-2-10-24-21/h2-12H,1H3/b17-11+