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

Systemtic Name: 7-[(2,4-dichlorophenyl)methylsulfanyl]-2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidine Openeye Name: 7-[(2,4-dichlorophenyl)methylsulfanyl]-2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidine CAS Name: 7-[(2,4-dichlorophenyl)methylthio]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine IUPAC Name: 7-[(2,4-dichlorophenyl)methylsulfanyl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine Traditional Name: 7-[(2,4-dichlorobenzyl)thio]-2,5-dimethyl-3-phenyl-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=C(C=C(C=C3)Cl)Cl)C)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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