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

Systemtic Name: 6-methyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrimidin-4-olate Openeye Name: 6-methyl-2-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyrimidin-4-olate CAS Name: 6-methyl-2-[[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methylthio]-4-pyrimidinolate IUPAC Name: 6-methyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrimidin-4-olate Traditional Name: 6-methyl-2-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methylthio]pyrimidin-4-olate Formula: C12H9N4O2S2- MolecularWeight: 305.35546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N4O2S2/c1-7-4-9(17)14-12(13-7)20-6-10-15-11(16-18-10)8-2-3-19-5-8/h2-5H,6H2,1H3,(H,13,14,17)/p-1