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

Systemtic Name: 6-phenyl-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrimidin-4-olate Openeye Name: 6-phenyl-2-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyrimidin-4-olate CAS Name: 6-phenyl-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylthio]-4-pyrimidinolate IUPAC Name: 6-phenyl-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrimidin-4-olate Traditional Name: 6-phenyl-2-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methylthio]pyrimidin-4-olate Formula: C17H11N4O2S2- MolecularWeight: 367.42484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC3=NC(=NO3)C4=CC=CS4)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC3=NC(=NO3)C4=CC=CS4)[O-]

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)/p-1