3-[3-(4-chlorophenyl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]sulfanylbutan-2-one

Systemtic Name: 3-[3-(4-chlorophenyl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]sulfanylbutan-2-one Openeye Name: 3-[3-(4-chlorophenyl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]sulfanylbutan-2-one CAS Name: 3-[[3-(4-chlorophenyl)-2,5-dimethyl-7-pyrazolo[1,5-a]pyrimidinyl]thio]-2-butanone IUPAC Name: 3-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylbutan-2-one Traditional Name: 3-[[3-(4-chlorophenyl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]thio]butan-2-one Formula: C18H18ClN3OS MolecularWeight: 359.87302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NN2C(=C1)SC(C)C(=O)C)C)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=NC2=C(C(=NN2C(=C1)SC(C)C(=O)C)C)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H18ClN3OS/c1-10-9-16(24-13(4)12(3)23)22-18(20-10)17(11(2)21-22)14-5-7-15(19)8-6-14/h5-9,13H,1-4H3