3-[1-[bis(fluoranyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[1-[bis(fluoranyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[1-(difluoromethyl)-3,5-dimethyl-pyrazol-4-yl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[1-(difluoromethyl)-3,5-dimethyl-4-pyrazolyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[1-(difluoromethyl)-3,5-dimethyl-pyrazol-4-yl]-2-thioxo-1H-quinazolin-4-one Formula: C14H12F2N4OS MolecularWeight: 322.333086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(F)F)C)N2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

CC1=C(C(=NN1C(F)F)C)N2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C14H12F2N4OS/c1-7-11(8(2)20(18-7)13(15)16)19-12(21)9-5-3-4-6-10(9)17-14(19)22/h3-6,13H,1-2H3,(H,17,22)