N-[(1-phenylpyrazol-4-yl)methyl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-[(1-phenylpyrazol-4-yl)methyl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-[(1-phenylpyrazol-4-yl)methyl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-[(1-phenyl-4-pyrazolyl)methyl]-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-[(1-phenylpyrazol-4-yl)methyl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-[(1-phenylpyrazol-4-yl)methyl]-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]acetamide Formula: C21H16F3N5OS MolecularWeight: 443.44485

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)CNC(=O)CSC3=NC(=NC4=CC=CC=C43)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)CNC(=O)CSC3=NC(=NC4=CC=CC=C43)C(F)(F)F

InChI

InChI=1S/C21H16F3N5OS/c22-21(23,24)20-27-17-9-5-4-8-16(17)19(28-20)31-13-18(30)25-10-14-11-26-29(12-14)15-6-2-1-3-7-15/h1-9,11-12H,10,13H2,(H,25,30)