2-ethenylsulfanyl-6-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-4-olate

Systemtic Name: 2-ethenylsulfanyl-6-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-4-olate Openeye Name: 5-benzyl-6-oxo-2-vinylsulfanyl-1H-pyrimidin-4-olate CAS Name: 2-(ethenylthio)-6-oxo-5-(phenylmethyl)-1H-pyrimidin-4-olate IUPAC Name: 5-benzyl-2-ethenylsulfanyl-6-oxo-1H-pyrimidin-4-olate Traditional Name: 5-benzyl-6-keto-2-(vinylthio)-1H-pyrimidin-4-olate Formula: C13H11N2O2S- MolecularWeight: 259.30364

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Descriptors Computed from Structure

Canonical SMILES:

C=CSC1=NC(=C(C(=O)N1)CC2=CC=CC=C2)[O-]

Isomeric SMILES

C=CSC1=NC(=C(C(=O)N1)CC2=CC=CC=C2)[O-]

InChI

InChI=1S/C13H12N2O2S/c1-2-18-13-14-11(16)10(12(17)15-13)8-9-6-4-3-5-7-9/h2-7H,1,8H2,(H2,14,15,16,17)/p-1