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

Systemtic Name: 2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-6-propyl-pyrimidin-4-olate Openeye Name: 2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-6-propyl-pyrimidin-4-olate CAS Name: 2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylthio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-6-propylpyrimidin-4-olate Traditional Name: 2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-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=NC(=NO2)C3=CC(=CC=C3)Cl)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC2=NC(=NO2)C3=CC(=CC=C3)Cl)[O-]

InChI

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