2-methyl-3-nitro-N-[2-(4-oxidanylidene-6-propan-2-yl-1H-pyrimidin-2-yl)-5-thiophen-2-yl-pyrazol-3-yl]benzamide

Systemtic Name: 2-methyl-3-nitro-N-[2-(4-oxidanylidene-6-propan-2-yl-1H-pyrimidin-2-yl)-5-thiophen-2-yl-pyrazol-3-yl]benzamide Openeye Name: N-[2-(6-isopropyl-4-oxo-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]-2-methyl-3-nitro-benzamide CAS Name: 2-methyl-3-nitro-N-[2-(4-oxo-6-propan-2-yl-1H-pyrimidin-2-yl)-5-thiophen-2-yl-3-pyrazolyl]benzamide IUPAC Name: 2-methyl-3-nitro-N-[2-(4-oxo-6-propan-2-yl-1H-pyrimidin-2-yl)-5-thiophen-2-ylpyrazol-3-yl]benzamide Traditional Name: N-[2-(6-isopropyl-4-keto-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]-2-methyl-3-nitro-benzamide Formula: C22H20N6O4S MolecularWeight: 464.497

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC(=NN2C3=NC(=O)C=C(N3)C(C)C)C4=CC=CS4

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC(=NN2C3=NC(=O)C=C(N3)C(C)C)C4=CC=CS4

InChI

InChI=1S/C22H20N6O4S/c1-12(2)15-11-20(29)25-22(23-15)27-19(10-16(26-27)18-8-5-9-33-18)24-21(30)14-6-4-7-17(13(14)3)28(31)32/h4-12H,1-3H3,(H,24,30)(H,23,25,29)