6-(4-ethylphenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1H-pyrimidin-4-one

Systemtic Name: 6-(4-ethylphenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 6-(4-ethylphenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-(4-ethylphenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylthio]-1H-pyrimidin-4-one IUPAC Name: 6-(4-ethylphenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-(4-ethylphenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylthio]-1H-pyrimidin-4-one Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CC(=O)N=C(N2)SCC3=NC(=NO3)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CC(=O)N=C(N2)SCC3=NC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C21H18N4O2S/c1-2-14-8-10-15(11-9-14)17-12-18(26)23-21(22-17)28-13-19-24-20(25-27-19)16-6-4-3-5-7-16/h3-12H,2,13H2,1H3,(H,22,23,26)