6-[(4-methylphenyl)sulfanylmethyl]-2-[2-oxidanylidene-2-[(4-phenoxyphenyl)amino]ethyl]sulfanyl-pyrimidin-4-olate

Systemtic Name: 6-[(4-methylphenyl)sulfanylmethyl]-2-[2-oxidanylidene-2-[(4-phenoxyphenyl)amino]ethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 2-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanyl-6-(p-tolylsulfanylmethyl)pyrimidin-4-olate CAS Name: 6-[[(4-methylphenyl)thio]methyl]-2-[[2-oxo-2-(4-phenoxyanilino)ethyl]thio]-4-pyrimidinolate IUPAC Name: 6-[(4-methylphenyl)sulfanylmethyl]-2-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-(4-phenoxyanilino)ethyl]thio]-6-[(p-tolylthio)methyl]pyrimidin-4-olate Formula: C26H22N3O3S2- MolecularWeight: 488.60118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=CC(=NC(=N2)SCC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=CC(=NC(=N2)SCC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)[O-]

InChI

InChI=1S/C26H23N3O3S2/c1-18-7-13-23(14-8-18)33-16-20-15-24(30)29-26(28-20)34-17-25(31)27-19-9-11-22(12-10-19)32-21-5-3-2-4-6-21/h2-15H,16-17H2,1H3,(H,27,31)(H,28,29,30)/p-1