8-(3-methyl-4-pyridin-2-ylsulfanyl-phenyl)-6H-pyrazolo[1,5-a][1,3,5]triazin-4-one

Systemtic Name: 8-(3-methyl-4-pyridin-2-ylsulfanyl-phenyl)-6H-pyrazolo[1,5-a][1,3,5]triazin-4-one Openeye Name: 8-[3-methyl-4-(2-pyridylsulfanyl)phenyl]-6H-pyrazolo[1,5-a][1,3,5]triazin-4-one CAS Name: 8-[3-methyl-4-(2-pyridinylthio)phenyl]-6H-pyrazolo[1,5-a][1,3,5]triazin-4-one IUPAC Name: 8-(3-methyl-4-pyridin-2-ylsulfanylphenyl)-6H-pyrazolo[1,5-a][1,3,5]triazin-4-one Traditional Name: 8-[3-methyl-4-(2-pyridylthio)phenyl]-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:

CC1=C(C=CC(=C1)C2=CNN3C2=NC=NC3=O)SC4=CC=CC=N4

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CNN3C2=NC=NC3=O)SC4=CC=CC=N4

InChI

InChI=1S/C17H13N5OS/c1-11-8-12(5-6-14(11)24-15-4-2-3-7-18-15)13-9-21-22-16(13)19-10-20-17(22)23/h2-10,21H,1H3