3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-2-thioxo-quinazolin-4-olate CAS Name: 3-[[3-[5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-1-oxopropyl]amino]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-2-thioxo-quinazolin-4-olate Formula: C16H13F3N5O2S- MolecularWeight: 396.36693

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCC(=O)NN2C(=C3C=CC=CC3=NC2=S)[O-])C(F)(F)F

Isomeric SMILES

CC1=CC(=NN1CCC(=O)NN2C(=C3C=CC=CC3=NC2=S)[O-])C(F)(F)F

InChI

InChI=1S/C16H14F3N5O2S/c1-9-8-12(16(17,18)19)21-23(9)7-6-13(25)22-24-14(26)10-4-2-3-5-11(10)20-15(24)27/h2-5,8,26H,6-7H2,1H3,(H,22,25)/p-1