2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-6-phenyl-5-prop-2-enyl-pyrimidin-4-olate

Systemtic Name: 2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-6-phenyl-5-prop-2-enyl-pyrimidin-4-olate Openeye Name: 5-allyl-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-6-phenyl-pyrimidin-4-olate CAS Name: 2-[(4-methoxy-3-nitrophenyl)methylthio]-6-phenyl-5-prop-2-enyl-4-pyrimidinolate IUPAC Name: 2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-6-phenyl-5-prop-2-enylpyrimidin-4-olate Traditional Name: 5-allyl-2-[(4-methoxy-3-nitro-benzyl)thio]-6-phenyl-pyrimidin-4-olate Formula: C21H18N3O4S- MolecularWeight: 408.45032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NC(=C(C(=N2)[O-])CC=C)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NC(=C(C(=N2)[O-])CC=C)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O4S/c1-3-7-16-19(15-8-5-4-6-9-15)22-21(23-20(16)25)29-13-14-10-11-18(28-2)17(12-14)24(26)27/h3-6,8-12H,1,7,13H2,2H3,(H,22,23,25)/p-1