5-phenyl-2-(phenylmethylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-olate

Systemtic Name: 5-phenyl-2-(phenylmethylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-olate Openeye Name: 2-benzylsulfanyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-olate CAS Name: 5-phenyl-2-(phenylmethylthio)-[1,2,4]triazolo[1,5-a]pyrimidin-7-olate IUPAC Name: 2-benzylsulfanyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-olate Traditional Name: 2-(benzylthio)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-olate Formula: C18H13N4OS- MolecularWeight: 333.38702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN3C(=CC(=NC3=N2)C4=CC=CC=C4)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN3C(=CC(=NC3=N2)C4=CC=CC=C4)[O-]

InChI

InChI=1S/C18H14N4OS/c23-16-11-15(14-9-5-2-6-10-14)19-17-20-18(21-22(16)17)24-12-13-7-3-1-4-8-13/h1-11,23H,12H2/p-1