2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

Systemtic Name: 2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide Openeye Name: 2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide CAS Name: 2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]-N-(1,3,5-trimethyl-4-pyrazolyl)propanamide IUPAC Name: 2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide Traditional Name: 2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]-N-(1,3,5-trimethylpyrazol-4-yl)propionamide Formula: C18H18F3N5OS MolecularWeight: 409.42863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)C(C)SC2=NC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)C(C)SC2=NC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C18H18F3N5OS/c1-9-14(10(2)26(4)25-9)23-15(27)11(3)28-16-12-7-5-6-8-13(12)22-17(24-16)18(19,20)21/h5-8,11H,1-4H3,(H,23,27)