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

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

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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)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN6O4S/c1-2-4-13-10-19(29)25-21(23-13)27-18(11-15(26-27)17-5-3-8-33-17)24-20(30)12-6-7-14(22)16(9-12)28(31)32/h3,5-11H,2,4H2,1H3,(H,24,30)(H,23,25,29)