1-[bis(fluoranyl)methyl]-N-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)pyrazole-3-carboxamide

Systemtic Name: 1-[bis(fluoranyl)methyl]-N-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)pyrazole-3-carboxamide Openeye Name: 1-(difluoromethyl)-N-(4-oxo-2-thioxo-1H-quinazolin-3-yl)pyrazole-3-carboxamide CAS Name: 1-(difluoromethyl)-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-3-pyrazolecarboxamide IUPAC Name: 1-(difluoromethyl)-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)pyrazole-3-carboxamide Traditional Name: 1-(difluoromethyl)-N-(4-keto-2-thioxo-1H-quinazolin-3-yl)pyrazole-3-carboxamide Formula: C13H9F2N5O2S MolecularWeight: 337.304666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)NC(=O)C3=NN(C=C3)C(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)NC(=O)C3=NN(C=C3)C(F)F

InChI

InChI=1S/C13H9F2N5O2S/c14-12(15)19-6-5-9(17-19)10(21)18-20-11(22)7-3-1-2-4-8(7)16-13(20)23/h1-6,12H,(H,16,23)(H,18,21)