3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide

Systemtic Name: 3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Openeye Name: 3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanamide CAS Name: 3-[5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide IUPAC Name: 3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Traditional Name: N-(4-keto-2-thioxo-1H-quinazolin-3-yl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propionamide Formula: C16H14F3N5O2S MolecularWeight: 397.37487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCC(=O)NN2C(=O)C3=CC=CC=C3NC2=S)C(F)(F)F

Isomeric SMILES

CC1=CC(=NN1CCC(=O)NN2C(=O)C3=CC=CC=C3NC2=S)C(F)(F)F

InChI

InChI=1S/C16H14F3N5O2S/c1-9-8-12(16(17,18)19)21-23(9)7-6-13(25)22-24-14(26)10-4-2-3-5-11(10)20-15(24)27/h2-5,8H,6-7H2,1H3,(H,20,27)(H,22,25)