5-[2,4-bis(chloranyl)phenoxy]-2-butylsulfanyl-6-methyl-pyrimidin-4-olate

Systemtic Name: 5-[2,4-bis(chloranyl)phenoxy]-2-butylsulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-butylsulfanyl-5-(2,4-dichlorophenoxy)-6-methyl-pyrimidin-4-olate CAS Name: 2-(butylthio)-5-(2,4-dichlorophenoxy)-6-methyl-4-pyrimidinolate IUPAC Name: 2-butylsulfanyl-5-(2,4-dichlorophenoxy)-6-methylpyrimidin-4-olate Traditional Name: 2-(butylthio)-5-(2,4-dichlorophenoxy)-6-methyl-pyrimidin-4-olate Formula: C15H15Cl2N2O2S- MolecularWeight: 358.2628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=C(C(=N1)[O-])OC2=C(C=C(C=C2)Cl)Cl)C

Isomeric SMILES

CCCCSC1=NC(=C(C(=N1)[O-])OC2=C(C=C(C=C2)Cl)Cl)C

InChI

InChI=1S/C15H16Cl2N2O2S/c1-3-4-7-22-15-18-9(2)13(14(20)19-15)21-12-6-5-10(16)8-11(12)17/h5-6,8H,3-4,7H2,1-2H3,(H,18,19,20)/p-1