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

Systemtic Name: 2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-6-phenyl-pyrimidin-4-olate Openeye Name: 6-phenyl-2-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyrimidin-4-olate CAS Name: 2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylthio]-6-phenyl-4-pyrimidinolate IUPAC Name: 2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-6-phenylpyrimidin-4-olate Traditional Name: 6-phenyl-2-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methylthio]pyrimidin-4-olate Formula: C20H15N4O2S- MolecularWeight: 375.4237

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=N2)CSC3=NC(=CC(=N3)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=N2)CSC3=NC(=CC(=N3)[O-])C4=CC=CC=C4

InChI

InChI=1S/C20H16N4O2S/c1-13-7-9-15(10-8-13)19-23-18(26-24-19)12-27-20-21-16(11-17(25)22-20)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,21,22,25)/p-1