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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)N2C(=CC(=N2)C3=CC=CS3)NC(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-]

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)N2C(=CC(=N2)C3=CC=CS3)NC(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C22H20N6O4S/c1-3-5-15-11-20(29)25-22(23-15)27-19(12-16(26-27)18-6-4-9-33-18)24-21(30)14-8-7-13(2)17(10-14)28(31)32/h4,6-12H,3,5H2,1-2H3,(H,24,30)(H,23,25,29)