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

Systemtic Name: 3-(2,6-diethylphenyl)-6-oxidanylidene-2-[(4-phenylphenyl)methylsulfanyl]pyrimidin-4-olate Openeye Name: 3-(2,6-diethylphenyl)-6-oxo-2-[(4-phenylphenyl)methylsulfanyl]pyrimidin-4-olate CAS Name: 3-(2,6-diethylphenyl)-6-oxo-2-[(4-phenylphenyl)methylthio]-4-pyrimidinolate IUPAC Name: 3-(2,6-diethylphenyl)-6-oxo-2-[(4-phenylphenyl)methylsulfanyl]pyrimidin-4-olate Traditional Name: 3-(2,6-diethylphenyl)-6-keto-2-[(4-phenylbenzyl)thio]pyrimidin-4-olate Formula: C27H25N2O2S- MolecularWeight: 441.5646

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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)C4=CC=CC=C4)[O-]

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=CC(=O)N=C2SCC3=CC=C(C=C3)C4=CC=CC=C4)[O-]

InChI

InChI=1S/C27H26N2O2S/c1-3-20-11-8-12-21(4-2)26(20)29-25(31)17-24(30)28-27(29)32-18-19-13-15-23(16-14-19)22-9-6-5-7-10-22/h5-17,31H,3-4,18H2,1-2H3/p-1