7-phenyl-2-(pyridin-4-ylmethylsulfanyl)-6H-pyrazolo[1,5-a][1,3,5]triazin-4-one

Systemtic Name: 7-phenyl-2-(pyridin-4-ylmethylsulfanyl)-6H-pyrazolo[1,5-a][1,3,5]triazin-4-one Openeye Name: 7-phenyl-2-(4-pyridylmethylsulfanyl)-6H-pyrazolo[1,5-a][1,3,5]triazin-4-one CAS Name: 7-phenyl-2-(pyridin-4-ylmethylthio)-6H-pyrazolo[1,5-a][1,3,5]triazin-4-one IUPAC Name: 7-phenyl-2-(pyridin-4-ylmethylsulfanyl)-6H-pyrazolo[1,5-a][1,3,5]triazin-4-one Traditional Name: 7-phenyl-2-(4-pyridylmethylthio)-6H-pyrazolo[1,5-a][1,3,5]triazin-4-one Formula: C17H13N5OS MolecularWeight: 335.38302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=NC(=NC(=O)N3N2)SCC4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=NC(=NC(=O)N3N2)SCC4=CC=NC=C4

InChI

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