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

Systemtic Name: 7-phenyl-2-(pyridin-3-ylmethylsulfanyl)-6H-pyrazolo[1,5-a][1,3,5]triazin-4-one Openeye Name: 7-phenyl-2-(3-pyridylmethylsulfanyl)-6H-pyrazolo[1,5-a][1,3,5]triazin-4-one CAS Name: 7-phenyl-2-(3-pyridinylmethylthio)-6H-pyrazolo[1,5-a][1,3,5]triazin-4-one IUPAC Name: 7-phenyl-2-(pyridin-3-ylmethylsulfanyl)-6H-pyrazolo[1,5-a][1,3,5]triazin-4-one Traditional Name: 7-phenyl-2-(3-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=CN=CC=C4

Isomeric SMILES

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

InChI

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