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

Systemtic Name: 3-(4-chlorophenyl)-2-methyl-5-[(4-methylphenyl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one Openeye Name: 3-(4-chlorophenyl)-2-methyl-5-(p-tolylsulfanylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one CAS Name: 3-(4-chlorophenyl)-2-methyl-5-[[(4-methylphenyl)thio]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one IUPAC Name: 3-(4-chlorophenyl)-2-methyl-5-[(4-methylphenyl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one Traditional Name: 3-(4-chlorophenyl)-2-methyl-5-[(p-tolylthio)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one Formula: C21H18ClN3OS MolecularWeight: 395.90512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=CC(=O)N3C(=N2)C(=C(N3)C)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=CC(=O)N3C(=N2)C(=C(N3)C)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H18ClN3OS/c1-13-3-9-18(10-4-13)27-12-17-11-19(26)25-21(23-17)20(14(2)24-25)15-5-7-16(22)8-6-15/h3-11,24H,12H2,1-2H3