2-[(4-nitrophenyl)methylsulfanyl]-6-oxidanyl-1-phenyl-pyrimidin-4-one

Systemtic Name: 2-[(4-nitrophenyl)methylsulfanyl]-6-oxidanyl-1-phenyl-pyrimidin-4-one Openeye Name: 6-hydroxy-2-[(4-nitrophenyl)methylsulfanyl]-1-phenyl-pyrimidin-4-one CAS Name: 6-hydroxy-2-[(4-nitrophenyl)methylthio]-1-phenyl-4-pyrimidinone IUPAC Name: 6-hydroxy-2-[(4-nitrophenyl)methylsulfanyl]-1-phenylpyrimidin-4-one Traditional Name: 6-hydroxy-2-[(4-nitrobenzyl)thio]-1-phenyl-pyrimidin-4-one Formula: C17H13N3O4S MolecularWeight: 355.36782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=CC(=O)N=C2SCC3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=CC(=O)N=C2SCC3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C17H13N3O4S/c21-15-10-16(22)19(13-4-2-1-3-5-13)17(18-15)25-11-12-6-8-14(9-7-12)20(23)24/h1-10,22H,11H2