4-nitro-1-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxamide

Systemtic Name: 4-nitro-1-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxamide Openeye Name: 4-nitro-1-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxamide CAS Name: 4-nitro-1-[4-thiophen-2-yl-6-(trifluoromethyl)-2-pyrimidinyl]-3-pyrazolecarboxamide IUPAC Name: 4-nitro-1-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxamide Traditional Name: 4-nitro-1-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxamide Formula: C13H7F3N6O3S MolecularWeight: 384.29329

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=CC(=NC(=N2)N3C=C(C(=N3)C(=O)N)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CSC(=C1)C2=CC(=NC(=N2)N3C=C(C(=N3)C(=O)N)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C13H7F3N6O3S/c14-13(15,16)9-4-6(8-2-1-3-26-8)18-12(19-9)21-5-7(22(24)25)10(20-21)11(17)23/h1-5H,(H2,17,23)