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

Systemtic Name: 3-(4-chlorophenyl)-2-ethyl-5-[(4-methylphenyl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one Openeye Name: 3-(4-chlorophenyl)-2-ethyl-5-(p-tolylsulfanylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one CAS Name: 3-(4-chlorophenyl)-2-ethyl-5-[[(4-methylphenyl)thio]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one IUPAC Name: 3-(4-chlorophenyl)-2-ethyl-5-[(4-methylphenyl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one Traditional Name: 3-(4-chlorophenyl)-2-ethyl-5-[(p-tolylthio)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one Formula: C22H20ClN3OS MolecularWeight: 409.9317

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=NC(=CC(=O)N2N1)CSC3=CC=C(C=C3)C)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCC1=C(C2=NC(=CC(=O)N2N1)CSC3=CC=C(C=C3)C)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H20ClN3OS/c1-3-19-21(15-6-8-16(23)9-7-15)22-24-17(12-20(27)26(22)25-19)13-28-18-10-4-14(2)5-11-18/h4-12,25H,3,13H2,1-2H3