3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylsulfanyl]-2,5-dimethyl-pyrazolo[1,5-a]pyrimidine

Systemtic Name: 3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylsulfanyl]-2,5-dimethyl-pyrazolo[1,5-a]pyrimidine Openeye Name: 3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylsulfanyl]-2,5-dimethyl-pyrazolo[1,5-a]pyrimidine CAS Name: 3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylthio]-2,5-dimethylpyrazolo[1,5-a]pyrimidine IUPAC Name: 3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylsulfanyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine Traditional Name: 7-[(4-chlorobenzyl)thio]-3-(4-chlorophenyl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidine Formula: C21H17Cl2N3S MolecularWeight: 414.35078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NN2C(=C1)SCC3=CC=C(C=C3)Cl)C)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=NC2=C(C(=NN2C(=C1)SCC3=CC=C(C=C3)Cl)C)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H17Cl2N3S/c1-13-11-19(27-12-15-3-7-17(22)8-4-15)26-21(24-13)20(14(2)25-26)16-5-9-18(23)10-6-16/h3-11H,12H2,1-2H3