6-[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate

Systemtic Name: 6-[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 2-benzylsulfanyl-6-[2-(3-methylsulfanylanilino)-2-oxo-ethyl]pyrimidin-4-olate CAS Name: 6-[2-[3-(methylthio)anilino]-2-oxoethyl]-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: 2-benzylsulfanyl-6-[2-(3-methylsulfanylanilino)-2-oxoethyl]pyrimidin-4-olate Traditional Name: 2-(benzylthio)-6-[2-keto-2-[3-(methylthio)anilino]ethyl]pyrimidin-4-olate Formula: C20H18N3O2S2- MolecularWeight: 396.50582

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)CC2=CC(=NC(=N2)SCC3=CC=CC=C3)[O-]

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)CC2=CC(=NC(=N2)SCC3=CC=CC=C3)[O-]

InChI

InChI=1S/C20H19N3O2S2/c1-26-17-9-5-8-15(10-17)21-18(24)11-16-12-19(25)23-20(22-16)27-13-14-6-3-2-4-7-14/h2-10,12H,11,13H2,1H3,(H,21,24)(H,22,23,25)/p-1