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

Systemtic Name: 5-chloranyl-N-[2-(5-ethyl-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-thiophen-2-yl-pyrazol-3-yl]-2-nitro-benzamide Openeye Name: 5-chloro-N-[2-(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]-2-nitro-benzamide CAS Name: 5-chloro-N-[2-(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-thiophen-2-yl-3-pyrazolyl]-2-nitrobenzamide IUPAC Name: 5-chloro-N-[2-(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-thiophen-2-ylpyrazol-3-yl]-2-nitrobenzamide Traditional Name: 5-chloro-N-[2-(5-ethyl-4-keto-6-methyl-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]-2-nitro-benzamide Formula: C21H17ClN6O4S MolecularWeight: 484.91548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN6O4S/c1-3-13-11(2)23-21(25-19(13)29)27-18(10-15(26-27)17-5-4-8-33-17)24-20(30)14-9-12(22)6-7-16(14)28(31)32/h4-10H,3H2,1-2H3,(H,24,30)(H,23,25,29)