2-[3-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)ethanamide

Systemtic Name: 2-[3-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)ethanamide Openeye Name: 2-[3-(3-chloro-4-fluoro-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide CAS Name: 2-[[3-(3-chloro-4-fluorophenyl)-4-oxo-2-quinazolinyl]thio]-N-(2,5-dimethyl-3-pyrazolyl)acetamide IUPAC Name: 2-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide Traditional Name: 2-[[3-(3-chloro-4-fluoro-phenyl)-4-keto-quinazolin-2-yl]thio]-N-(2,5-dimethylpyrazol-3-yl)acetamide Formula: C21H17ClFN5O2S MolecularWeight: 457.908383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)F)Cl)C

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)F)Cl)C

InChI

InChI=1S/C21H17ClFN5O2S/c1-12-9-18(27(2)26-12)25-19(29)11-31-21-24-17-6-4-3-5-14(17)20(30)28(21)13-7-8-16(23)15(22)10-13/h3-10H,11H2,1-2H3,(H,25,29)