2-phenyl-4-phenylsulfanyl-5-(trifluoromethyl)pyrazol-3-olate

Systemtic Name: 2-phenyl-4-phenylsulfanyl-5-(trifluoromethyl)pyrazol-3-olate Openeye Name: 2-phenyl-4-phenylsulfanyl-5-(trifluoromethyl)pyrazol-3-olate CAS Name: 2-phenyl-4-(phenylthio)-5-(trifluoromethyl)-3-pyrazololate IUPAC Name: 2-phenyl-4-phenylsulfanyl-5-(trifluoromethyl)pyrazol-3-olate Traditional Name: 2-phenyl-4-(phenylthio)-5-(trifluoromethyl)pyrazol-3-olate Formula: C16H10F3N2OS- MolecularWeight: 335.32361

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C(=N2)C(F)(F)F)SC3=CC=CC=C3)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C(=N2)C(F)(F)F)SC3=CC=CC=C3)[O-]

InChI

InChI=1S/C16H11F3N2OS/c17-16(18,19)14-13(23-12-9-5-2-6-10-12)15(22)21(20-14)11-7-3-1-4-8-11/h1-10,22H/p-1