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

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

CCC1=C(NC(=NC1=O)N2C(=CC(=N2)C3=CC=CS3)NC(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-])C

Isomeric SMILES

CCC1=C(NC(=NC1=O)N2C(=CC(=N2)C3=CC=CS3)NC(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-])C

InChI

InChI=1S/C22H20N6O4S/c1-4-15-13(3)23-22(25-21(15)30)27-19(11-16(26-27)18-6-5-9-33-18)24-20(29)14-8-7-12(2)17(10-14)28(31)32/h5-11H,4H2,1-3H3,(H,24,29)(H,23,25,30)