2-(3-methoxy-4-nitro-pyrazol-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine

Systemtic Name: 2-(3-methoxy-4-nitro-pyrazol-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine Openeye Name: 2-(3-methoxy-4-nitro-pyrazol-1-yl)-4-(2-thienyl)-6-(trifluoromethyl)pyrimidine CAS Name: 2-(3-methoxy-4-nitro-1-pyrazolyl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine IUPAC Name: 2-(3-methoxy-4-nitropyrazol-1-yl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine Traditional Name: 2-(3-methoxy-4-nitro-pyrazol-1-yl)-4-(2-thienyl)-6-(trifluoromethyl)pyrimidine Formula: C13H8F3N5O3S MolecularWeight: 371.29453

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=NN(C=C1[N+](=O)[O-])C2=NC(=CC(=N2)C(F)(F)F)C3=CC=CS3

Isomeric SMILES

COC1=NN(C=C1[N+](=O)[O-])C2=NC(=CC(=N2)C(F)(F)F)C3=CC=CS3

InChI

InChI=1S/C13H8F3N5O3S/c1-24-11-8(21(22)23)6-20(19-11)12-17-7(9-3-2-4-25-9)5-10(18-12)13(14,15)16/h2-6H,1H3