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

Systemtic Name: 3-(3,4-dichlorophenyl)-2-[(4-methylphenyl)methylsulfanyl]-6-oxidanylidene-pyrimidin-4-olate Openeye Name: 3-(3,4-dichlorophenyl)-6-oxo-2-(p-tolylmethylsulfanyl)pyrimidin-4-olate CAS Name: 3-(3,4-dichlorophenyl)-2-[(4-methylphenyl)methylthio]-6-oxo-4-pyrimidinolate IUPAC Name: 3-(3,4-dichlorophenyl)-2-[(4-methylphenyl)methylsulfanyl]-6-oxopyrimidin-4-olate Traditional Name: 3-(3,4-dichlorophenyl)-6-keto-2-[(4-methylbenzyl)thio]pyrimidin-4-olate Formula: C18H13Cl2N2O2S- MolecularWeight: 392.27902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC(=O)C=C(N2C3=CC(=C(C=C3)Cl)Cl)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC(=O)C=C(N2C3=CC(=C(C=C3)Cl)Cl)[O-]

InChI

InChI=1S/C18H14Cl2N2O2S/c1-11-2-4-12(5-3-11)10-25-18-21-16(23)9-17(24)22(18)13-6-7-14(19)15(20)8-13/h2-9,24H,10H2,1H3/p-1