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

Systemtic Name: 8-[3-methyl-4-(phenylmethylsulfanyl)phenyl]-6H-pyrazolo[1,5-a][1,3,5]triazin-4-one Openeye Name: 8-(4-benzylsulfanyl-3-methyl-phenyl)-6H-pyrazolo[1,5-a][1,3,5]triazin-4-one CAS Name: 8-[3-methyl-4-(phenylmethylthio)phenyl]-6H-pyrazolo[1,5-a][1,3,5]triazin-4-one IUPAC Name: 8-(4-benzylsulfanyl-3-methylphenyl)-6H-pyrazolo[1,5-a][1,3,5]triazin-4-one Traditional Name: 8-[4-(benzylthio)-3-methyl-phenyl]-6H-pyrazolo[1,5-a][1,3,5]triazin-4-one Formula: C19H16N4OS MolecularWeight: 348.42154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CNN3C2=NC=NC3=O)SCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CNN3C2=NC=NC3=O)SCC4=CC=CC=C4

InChI

InChI=1S/C19H16N4OS/c1-13-9-15(16-10-22-23-18(16)20-12-21-19(23)24)7-8-17(13)25-11-14-5-3-2-4-6-14/h2-10,12,22H,11H2,1H3