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

Systemtic Name: 2-phenyl-5-(pyridin-2-ylsulfanylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Openeye Name: 2-phenyl-5-(2-pyridylsulfanylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one CAS Name: 2-phenyl-5-[(2-pyridinylthio)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one IUPAC Name: 2-phenyl-5-(pyridin-2-ylsulfanylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Traditional Name: 2-phenyl-5-[(2-pyridylthio)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Formula: C17H13N5OS MolecularWeight: 335.38302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=NC(=CC(=O)N3N2)CSC4=CC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=NC(=CC(=O)N3N2)CSC4=CC=CC=N4

InChI

InChI=1S/C17H13N5OS/c23-15-10-13(11-24-14-8-4-5-9-18-14)19-17-20-16(21-22(15)17)12-6-2-1-3-7-12/h1-10H,11H2,(H,19,20,21)