6-[(4-methylphenyl)sulfanylmethyl]-2-(2-oxidanylidene-1,2-diphenyl-ethyl)sulfanyl-1H-pyrimidin-4-one

Systemtic Name: 6-[(4-methylphenyl)sulfanylmethyl]-2-(2-oxidanylidene-1,2-diphenyl-ethyl)sulfanyl-1H-pyrimidin-4-one Openeye Name: 2-(2-oxo-1,2-diphenyl-ethyl)sulfanyl-6-(p-tolylsulfanylmethyl)-1H-pyrimidin-4-one CAS Name: 6-[[(4-methylphenyl)thio]methyl]-2-[(2-oxo-1,2-diphenylethyl)thio]-1H-pyrimidin-4-one IUPAC Name: 6-[(4-methylphenyl)sulfanylmethyl]-2-(2-oxo-1,2-diphenylethyl)sulfanyl-1H-pyrimidin-4-one Traditional Name: 2-(desylthio)-6-[(p-tolylthio)methyl]-1H-pyrimidin-4-one Formula: C26H22N2O2S2 MolecularWeight: 458.59508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=CC(=O)N=C(N2)SC(C3=CC=CC=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=CC(=O)N=C(N2)SC(C3=CC=CC=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H22N2O2S2/c1-18-12-14-22(15-13-18)31-17-21-16-23(29)28-26(27-21)32-25(20-10-6-3-7-11-20)24(30)19-8-4-2-5-9-19/h2-16,25H,17H2,1H3,(H,27,28,29)