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

Systemtic Name: 2-[4-chloranyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)ethanamide Openeye Name: 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-oxo-2-thioxo-1H-quinazolin-3-yl)acetamide CAS Name: 2-[4-chloro-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)acetamide IUPAC Name: 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)acetamide Traditional Name: 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-keto-2-thioxo-1H-quinazolin-3-yl)acetamide Formula: C15H11ClF3N5O2S MolecularWeight: 417.79335

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NN2C(=O)C3=CC=CC=C3NC2=S)C(F)(F)F)Cl

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NN2C(=O)C3=CC=CC=C3NC2=S)C(F)(F)F)Cl

InChI

InChI=1S/C15H11ClF3N5O2S/c1-7-11(16)12(15(17,18)19)22-23(7)6-10(25)21-24-13(26)8-4-2-3-5-9(8)20-14(24)27/h2-5H,6H2,1H3,(H,20,27)(H,21,25)