2-(3-nitro-1,2,4-triazol-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine

Systemtic Name: 2-(3-nitro-1,2,4-triazol-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine Openeye Name: 2-(3-nitro-1,2,4-triazol-1-yl)-4-(2-thienyl)-6-(trifluoromethyl)pyrimidine CAS Name: 2-(3-nitro-1,2,4-triazol-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine IUPAC Name: 2-(3-nitro-1,2,4-triazol-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine Traditional Name: 2-(3-nitro-1,2,4-triazol-1-yl)-4-(2-thienyl)-6-(trifluoromethyl)pyrimidine Formula: C11H5F3N6O2S MolecularWeight: 342.25661

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H5F3N6O2S/c12-11(13,14)8-4-6(7-2-1-3-23-7)16-10(17-8)19-5-15-9(18-19)20(21)22/h1-5H