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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=O)N=C(N1)N2C(=CC(=N2)C3=CC=CS3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)C1=CC(=O)N=C(N1)N2C(=CC(=N2)C3=CC=CS3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

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