5-tert-butyl-7-chloranyl-2-methylsulfanyl-3-(phenylsulfonyl)pyrazolo[1,5-a]pyrimidine

Systemtic Name: 5-tert-butyl-7-chloranyl-2-methylsulfanyl-3-(phenylsulfonyl)pyrazolo[1,5-a]pyrimidine Openeye Name: 3-(benzenesulfonyl)-5-tert-butyl-7-chloro-2-methylsulfanyl-pyrazolo[1,5-a]pyrimidine CAS Name: 3-(benzenesulfonyl)-5-tert-butyl-7-chloro-2-(methylthio)pyrazolo[1,5-a]pyrimidine IUPAC Name: 3-(benzenesulfonyl)-5-tert-butyl-7-chloro-2-methylsulfanylpyrazolo[1,5-a]pyrimidine Traditional Name: 3-besyl-5-tert-butyl-7-chloro-2-(methylthio)pyrazolo[1,5-a]pyrimidine Formula: C17H18ClN3O2S2 MolecularWeight: 395.92672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN3O2S2/c1-17(2,3)12-10-13(18)21-15(19-12)14(16(20-21)24-4)25(22,23)11-8-6-5-7-9-11/h5-10H,1-4H3