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

Systemtic Name: 2-[[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-6-ethyl-1H-pyrimidin-4-one Openeye Name: 2-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-6-ethyl-1H-pyrimidin-4-one CAS Name: 2-[[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methylthio]-6-ethyl-1H-pyrimidin-4-one IUPAC Name: 2-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-6-ethyl-1H-pyrimidin-4-one Traditional Name: 2-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methylthio]-6-ethyl-1H-pyrimidin-4-one Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)N=C(N1)SCC2=NC(=NO2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC(=O)N=C(N1)SCC2=NC(=NO2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H20N4O2S/c1-2-17-13-18(27)24-22(23-17)29-14-19-25-21(26-28-19)20(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-13,20H,2,14H2,1H3,(H,23,24,27)