4-[[2-azanyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]diazenyl]benzoate

Systemtic Name: 4-[[2-azanyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]diazenyl]benzoate Openeye Name: 4-[2-amino-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]azobenzoate CAS Name: 4-[[2-amino-5-thiophen-2-yl-7-(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinyl]azo]benzoate IUPAC Name: 4-[[2-amino-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]diazenyl]benzoate Traditional Name: 4-[2-amino-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]azobenzoate Formula: C18H10F3N6O2S- MolecularWeight: 431.37121

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NC3=C(C(=NN3C(=C2)C(F)(F)F)N)N=NC4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

C1=CSC(=C1)C2=NC3=C(C(=NN3C(=C2)C(F)(F)F)N)N=NC4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C18H11F3N6O2S/c19-18(20,21)13-8-11(12-2-1-7-30-12)23-16-14(15(22)26-27(13)16)25-24-10-5-3-9(4-6-10)17(28)29/h1-8H,(H2,22,26)(H,28,29)/p-1