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

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-3-(2,6-diethylphenyl)-6-oxidanylidene-pyrimidin-4-olate Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-3-(2,6-diethylphenyl)-6-oxo-pyrimidin-4-olate CAS Name: 2-[(4-chlorophenyl)methylthio]-3-(2,6-diethylphenyl)-6-oxo-4-pyrimidinolate IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-3-(2,6-diethylphenyl)-6-oxopyrimidin-4-olate Traditional Name: 2-[(4-chlorobenzyl)thio]-3-(2,6-diethylphenyl)-6-keto-pyrimidin-4-olate Formula: C21H20ClN2O2S- MolecularWeight: 399.9137

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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)Cl)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O2S/c1-3-15-6-5-7-16(4-2)20(15)24-19(26)12-18(25)23-21(24)27-13-14-8-10-17(22)11-9-14/h5-12,26H,3-4,13H2,1-2H3/p-1