5-methyl-3-(4-methylphenyl)sulfonyl-2-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 5-methyl-3-(4-methylphenyl)sulfonyl-2-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one Openeye Name: 5-methyl-2-methylsulfanyl-3-(p-tolylsulfonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one CAS Name: 5-methyl-3-(4-methylphenyl)sulfonyl-2-(methylthio)-1H-pyrazolo[1,5-a]pyrimidin-7-one IUPAC Name: 5-methyl-3-(4-methylphenyl)sulfonyl-2-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one Traditional Name: 5-methyl-2-(methylthio)-3-tosyl-1H-pyrazolo[1,5-a]pyrimidin-7-one Formula: C15H15N3O3S2 MolecularWeight: 349.4279

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(NN3C2=NC(=CC3=O)C)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(NN3C2=NC(=CC3=O)C)SC

InChI

InChI=1S/C15H15N3O3S2/c1-9-4-6-11(7-5-9)23(20,21)13-14-16-10(2)8-12(19)18(14)17-15(13)22-3/h4-8,17H,1-3H3