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

Systemtic Name: 6-phenyl-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 6-phenyl-2-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-phenyl-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylthio]-1H-pyrimidin-4-one IUPAC Name: 6-phenyl-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-phenyl-2-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methylthio]-1H-pyrimidin-4-one Formula: C17H12N4O2S2 MolecularWeight: 368.43278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=O)N=C(N2)SCC3=NC(=NO3)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=O)N=C(N2)SCC3=NC(=NO3)C4=CC=CS4

InChI

InChI=1S/C17H12N4O2S2/c22-14-9-12(11-5-2-1-3-6-11)18-17(19-14)25-10-15-20-16(21-23-15)13-7-4-8-24-13/h1-9H,10H2,(H,18,19,22)