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

Systemtic Name: 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-6-propyl-pyrimidin-4-olate Openeye Name: 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-6-propyl-pyrimidin-4-olate CAS Name: 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methylthio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-6-propylpyrimidin-4-olate Traditional Name: 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methylthio]-6-propyl-pyrimidin-4-olate Formula: C16H14BrN4O2S- MolecularWeight: 406.27696

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC2=NN=C(O2)C3=CC=C(C=C3)Br)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC2=NN=C(O2)C3=CC=C(C=C3)Br)[O-]

InChI

InChI=1S/C16H15BrN4O2S/c1-2-3-12-8-13(22)19-16(18-12)24-9-14-20-21-15(23-14)10-4-6-11(17)7-5-10/h4-8H,2-3,9H2,1H3,(H,18,19,22)/p-1