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

Systemtic Name: 3-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanoylamino]-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-[[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-2-thioxo-quinazolin-4-olate CAS Name: 3-[[2-[5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-1-oxoethyl]amino]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-[[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-[[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-2-thioxo-quinazolin-4-olate Formula: C15H11F3N5O2S- MolecularWeight: 382.34035

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12F3N5O2S/c1-8-6-11(15(16,17)18)20-22(8)7-12(24)21-23-13(25)9-4-2-3-5-10(9)19-14(23)26/h2-6,25H,7H2,1H3,(H,21,24)/p-1