3-(4-methylphenyl)-6-oxidanylidene-2-phenacylsulfanyl-5-(phenylmethyl)pyrimidin-4-olate

Systemtic Name: 3-(4-methylphenyl)-6-oxidanylidene-2-phenacylsulfanyl-5-(phenylmethyl)pyrimidin-4-olate Openeye Name: 5-benzyl-6-oxo-2-phenacylsulfanyl-3-(p-tolyl)pyrimidin-4-olate CAS Name: 3-(4-methylphenyl)-6-oxo-2-(phenacylthio)-5-(phenylmethyl)-4-pyrimidinolate IUPAC Name: 5-benzyl-3-(4-methylphenyl)-6-oxo-2-phenacylsulfanylpyrimidin-4-olate Traditional Name: 5-benzyl-6-keto-2-(phenacylthio)-3-(p-tolyl)pyrimidin-4-olate Formula: C26H21N2O3S- MolecularWeight: 441.52154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(=O)N=C2SCC(=O)C3=CC=CC=C3)CC4=CC=CC=C4)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=O)N=C2SCC(=O)C3=CC=CC=C3)CC4=CC=CC=C4)[O-]

InChI

InChI=1S/C26H22N2O3S/c1-18-12-14-21(15-13-18)28-25(31)22(16-19-8-4-2-5-9-19)24(30)27-26(28)32-17-23(29)20-10-6-3-7-11-20/h2-15,31H,16-17H2,1H3/p-1