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

Systemtic Name: 6-methyl-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyrimidin-4-olate Openeye Name: 6-methyl-2-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyrimidin-4-olate CAS Name: 6-methyl-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylthio]-4-pyrimidinolate IUPAC Name: 6-methyl-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyrimidin-4-olate Traditional Name: 6-methyl-2-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methylthio]pyrimidin-4-olate Formula: C15H13N4O2S- MolecularWeight: 313.35432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=N2)CSC3=NC(=CC(=N3)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=N2)CSC3=NC(=CC(=N3)[O-])C

InChI

InChI=1S/C15H14N4O2S/c1-9-3-5-11(6-4-9)14-18-13(21-19-14)8-22-15-16-10(2)7-12(20)17-15/h3-7H,8H2,1-2H3,(H,16,17,20)/p-1