2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-6-methyl-pyrimidin-4-olate Openeye Name: 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-6-methyl-pyrimidin-4-olate CAS Name: 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylthio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-6-methylpyrimidin-4-olate Traditional Name: 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylthio]-6-methyl-pyrimidin-4-olate Formula: C14H10ClN4O2S- MolecularWeight: 333.7728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=NC(=NO2)C3=CC=C(C=C3)Cl)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=NC(=NO2)C3=CC=C(C=C3)Cl)[O-]

InChI

InChI=1S/C14H11ClN4O2S/c1-8-6-11(20)17-14(16-8)22-7-12-18-13(19-21-12)9-2-4-10(15)5-3-9/h2-6H,7H2,1H3,(H,16,17,20)/p-1