2-[(3-fluorophenyl)methylsulfanyl]-6-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-olate

Systemtic Name: 2-[(3-fluorophenyl)methylsulfanyl]-6-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-olate Openeye Name: 2-[(3-fluorophenyl)methylsulfanyl]-6-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-olate CAS Name: 2-[(3-fluorophenyl)methylthio]-6-methyl-5-[(4-nitrophenyl)methyl]-4-pyrimidinolate IUPAC Name: 2-[(3-fluorophenyl)methylsulfanyl]-6-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-olate Traditional Name: 2-[(3-fluorobenzyl)thio]-6-methyl-5-(4-nitrobenzyl)pyrimidin-4-olate Formula: C19H15FN3O3S- MolecularWeight: 384.404103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC2=CC(=CC=C2)F)[O-])CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC2=CC(=CC=C2)F)[O-])CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H16FN3O3S/c1-12-17(10-13-5-7-16(8-6-13)23(25)26)18(24)22-19(21-12)27-11-14-3-2-4-15(20)9-14/h2-9H,10-11H2,1H3,(H,21,22,24)/p-1