3-(2,6-diethylphenyl)-2-[(4-methylphenyl)methylsulfanyl]-6-oxidanylidene-pyrimidin-4-olate

Systemtic Name: 3-(2,6-diethylphenyl)-2-[(4-methylphenyl)methylsulfanyl]-6-oxidanylidene-pyrimidin-4-olate Openeye Name: 3-(2,6-diethylphenyl)-6-oxo-2-(p-tolylmethylsulfanyl)pyrimidin-4-olate CAS Name: 3-(2,6-diethylphenyl)-2-[(4-methylphenyl)methylthio]-6-oxo-4-pyrimidinolate IUPAC Name: 3-(2,6-diethylphenyl)-2-[(4-methylphenyl)methylsulfanyl]-6-oxopyrimidin-4-olate Traditional Name: 3-(2,6-diethylphenyl)-6-keto-2-[(4-methylbenzyl)thio]pyrimidin-4-olate Formula: C22H23N2O2S- MolecularWeight: 379.49522

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C(=CC(=O)N=C2SCC3=CC=C(C=C3)C)[O-]

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=CC(=O)N=C2SCC3=CC=C(C=C3)C)[O-]

InChI

InChI=1S/C22H24N2O2S/c1-4-17-7-6-8-18(5-2)21(17)24-20(26)13-19(25)23-22(24)27-14-16-11-9-15(3)10-12-16/h6-13,26H,4-5,14H2,1-3H3/p-1