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

Systemtic Name: 5-phenyl-2-(phenylmethylsulfanyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Openeye Name: 2-benzylsulfanyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one CAS Name: 5-phenyl-2-(phenylmethylthio)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one IUPAC Name: 2-benzylsulfanyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Traditional Name: 2-(benzylthio)-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Formula: C18H14N4OS MolecularWeight: 334.39496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC3=NC(=CC(=O)N3N2)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC3=NC(=CC(=O)N3N2)C4=CC=CC=C4

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/h1-11H,12H2,(H,19,20,21)