N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide

Systemtic Name: N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide Openeye Name: N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide CAS Name: N-[[4-pentoxy-3-(trifluoromethyl)anilino]-sulfanylidenemethyl]-6-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide Traditional Name: N-[[4-amoxy-3-(trifluoromethyl)phenyl]thiocarbamoyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide Formula: C20H20F3N5O2S MolecularWeight: 451.46531

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CN3C(=CC=N3)N=C2)C(F)(F)F

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CN3C(=CC=N3)N=C2)C(F)(F)F

InChI

InChI=1S/C20H20F3N5O2S/c1-2-3-4-9-30-16-6-5-14(10-15(16)20(21,22)23)26-19(31)27-18(29)13-11-24-17-7-8-25-28(17)12-13/h5-8,10-12H,2-4,9H2,1H3,(H2,26,27,29,31)