2-[(4-nitrophenyl)methylsulfanyl]-6-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-4-olate

Systemtic Name: 2-[(4-nitrophenyl)methylsulfanyl]-6-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-4-olate Openeye Name: 5-benzyl-2-[(4-nitrophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-4-olate CAS Name: 2-[(4-nitrophenyl)methylthio]-6-oxo-5-(phenylmethyl)-1H-pyrimidin-4-olate IUPAC Name: 5-benzyl-2-[(4-nitrophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-4-olate Traditional Name: 5-benzyl-6-keto-2-[(4-nitrobenzyl)thio]-1H-pyrimidin-4-olate Formula: C18H14N3O4S- MolecularWeight: 368.38646

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(N=C(NC2=O)SCC3=CC=C(C=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(N=C(NC2=O)SCC3=CC=C(C=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C18H15N3O4S/c22-16-15(10-12-4-2-1-3-5-12)17(23)20-18(19-16)26-11-13-6-8-14(9-7-13)21(24)25/h1-9H,10-11H2,(H2,19,20,22,23)/p-1