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

Systemtic Name: 2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-6-propyl-pyrimidin-4-olate Openeye Name: 2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-6-propyl-pyrimidin-4-olate CAS Name: 2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylthio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-6-propylpyrimidin-4-olate Traditional Name: 2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylthio]-6-propyl-pyrimidin-4-olate Formula: C16H14ClN4O2S- MolecularWeight: 361.82596

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC2=NOC(=N2)C3=CC=CC=C3Cl)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC2=NOC(=N2)C3=CC=CC=C3Cl)[O-]

InChI

InChI=1S/C16H15ClN4O2S/c1-2-5-10-8-14(22)20-16(18-10)24-9-13-19-15(23-21-13)11-6-3-4-7-12(11)17/h3-4,6-8H,2,5,9H2,1H3,(H,18,20,22)/p-1