2-[[2,6-bis(chloranyl)phenyl]methylsulfanyl]-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[[2,6-bis(chloranyl)phenyl]methylsulfanyl]-6-propyl-pyrimidin-4-olate Openeye Name: 2-[(2,6-dichlorophenyl)methylsulfanyl]-6-propyl-pyrimidin-4-olate CAS Name: 2-[(2,6-dichlorophenyl)methylthio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[(2,6-dichlorophenyl)methylsulfanyl]-6-propylpyrimidin-4-olate Traditional Name: 2-[(2,6-dichlorobenzyl)thio]-6-propyl-pyrimidin-4-olate Formula: C14H13Cl2N2OS- MolecularWeight: 328.23682

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC2=C(C=CC=C2Cl)Cl)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC2=C(C=CC=C2Cl)Cl)[O-]

InChI

InChI=1S/C14H14Cl2N2OS/c1-2-4-9-7-13(19)18-14(17-9)20-8-10-11(15)5-3-6-12(10)16/h3,5-7H,2,4,8H2,1H3,(H,17,18,19)/p-1