3-[2-[3-[bis(fluoranyl)methyl]-5-methyl-pyrazol-1-yl]ethanoylamino]-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-[2-[3-[bis(fluoranyl)methyl]-5-methyl-pyrazol-1-yl]ethanoylamino]-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-[[2-[3-(difluoromethyl)-5-methyl-pyrazol-1-yl]acetyl]amino]-2-thioxo-quinazolin-4-olate CAS Name: 3-[[2-[3-(difluoromethyl)-5-methyl-1-pyrazolyl]-1-oxoethyl]amino]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-[[2-[3-(difluoromethyl)-5-methyl-pyrazol-1-yl]acetyl]amino]-2-thioxo-quinazolin-4-olate Formula: C15H12F2N5O2S- MolecularWeight: 364.349886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(=O)NN2C(=C3C=CC=CC3=NC2=S)[O-])C(F)F

Isomeric SMILES

CC1=CC(=NN1CC(=O)NN2C(=C3C=CC=CC3=NC2=S)[O-])C(F)F

InChI

InChI=1S/C15H13F2N5O2S/c1-8-6-11(13(16)17)19-21(8)7-12(23)20-22-14(24)9-4-2-3-5-10(9)18-15(22)25/h2-6,13,24H,7H2,1H3,(H,20,23)/p-1