2-methylsulfanyl-3-(phenylsulfonyl)-7-piperazin-1-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

Systemtic Name: 2-methylsulfanyl-3-(phenylsulfonyl)-7-piperazin-1-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine Openeye Name: 3-(benzenesulfonyl)-2-methylsulfanyl-7-piperazin-1-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine CAS Name: 3-(benzenesulfonyl)-2-(methylthio)-7-(1-piperazinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine IUPAC Name: 3-(benzenesulfonyl)-2-methylsulfanyl-7-piperazin-1-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine Traditional Name: 3-besyl-2-(methylthio)-7-piperazino-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine Formula: C18H18F3N5O2S2 MolecularWeight: 457.49303

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN2C(=CC(=NC2=C1S(=O)(=O)C3=CC=CC=C3)C(F)(F)F)N4CCNCC4

Isomeric SMILES

CSC1=NN2C(=CC(=NC2=C1S(=O)(=O)C3=CC=CC=C3)C(F)(F)F)N4CCNCC4

InChI

InChI=1S/C18H18F3N5O2S2/c1-29-17-15(30(27,28)12-5-3-2-4-6-12)16-23-13(18(19,20)21)11-14(26(16)24-17)25-9-7-22-8-10-25/h2-6,11,22H,7-10H2,1H3