(4E)-2-(4-nitrophenyl)-4-(thiophen-2-ylmethylidene)-5-(trifluoromethyl)pyrazol-3-one

Systemtic Name: (4E)-2-(4-nitrophenyl)-4-(thiophen-2-ylmethylidene)-5-(trifluoromethyl)pyrazol-3-one Openeye Name: (4E)-2-(4-nitrophenyl)-4-(2-thienylmethylene)-5-(trifluoromethyl)pyrazol-3-one CAS Name: (4E)-2-(4-nitrophenyl)-4-(thiophen-2-ylmethylidene)-5-(trifluoromethyl)-3-pyrazolone IUPAC Name: (4E)-2-(4-nitrophenyl)-4-(thiophen-2-ylmethylidene)-5-(trifluoromethyl)pyrazol-3-one Traditional Name: (4E)-2-(4-nitrophenyl)-4-(2-thenylidene)-5-(trifluoromethyl)-2-pyrazolin-3-one Formula: C15H8F3N3O3S MolecularWeight: 367.30253

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CSC(=C1)/C=C/2\C(=NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C15H8F3N3O3S/c16-15(17,18)13-12(8-11-2-1-7-25-11)14(22)20(19-13)9-3-5-10(6-4-9)21(23)24/h1-8H/b12-8+