6-[4-[(3-methylsulfanylphenyl)carbamoyl]-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-olate

Systemtic Name: 6-[4-[(3-methylsulfanylphenyl)carbamoyl]-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-olate Openeye Name: 6-[4-[(3-methylsulfanylphenyl)carbamoyl]-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-olate CAS Name: 6-[4-[[3-(methylthio)anilino]-oxomethyl]-5-(trifluoromethyl)-1-pyrazolyl]-3-pyridazinolate IUPAC Name: 6-[4-[(3-methylsulfanylphenyl)carbamoyl]-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-olate Traditional Name: 6-[4-[[3-(methylthio)phenyl]carbamoyl]-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-olate Formula: C16H11F3N5O2S- MolecularWeight: 394.35105

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2=C(N(N=C2)C3=NN=C(C=C3)[O-])C(F)(F)F

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2=C(N(N=C2)C3=NN=C(C=C3)[O-])C(F)(F)F

InChI

InChI=1S/C16H12F3N5O2S/c1-27-10-4-2-3-9(7-10)21-15(26)11-8-20-24(14(11)16(17,18)19)12-5-6-13(25)23-22-12/h2-8H,1H3,(H,21,26)(H,23,25)/p-1