2-[1-(2-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[1-(2-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[1-(2-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[[1-(2-chlorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-N-[3-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[1-(2-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[[1-(2-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]-N-[3-(trifluoromethyl)phenyl]acetamide Formula: C20H13ClF3N5OS MolecularWeight: 463.86333

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)NC4=CC=CC(=C4)C(F)(F)F)Cl

Isomeric SMILES

C1=CC=C(C(=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)NC4=CC=CC(=C4)C(F)(F)F)Cl

InChI

InChI=1S/C20H13ClF3N5OS/c21-15-6-1-2-7-16(15)29-18-14(9-27-29)19(26-11-25-18)31-10-17(30)28-13-5-3-4-12(8-13)20(22,23)24/h1-9,11H,10H2,(H,28,30)