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

Systemtic Name: 2-methyl-3-nitro-N-[2-(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)-5-thiophen-2-yl-pyrazol-3-yl]benzamide Openeye Name: 2-methyl-3-nitro-N-[2-(4-oxo-6-phenyl-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]benzamide CAS Name: 2-methyl-3-nitro-N-[2-(4-oxo-6-phenyl-1H-pyrimidin-2-yl)-5-thiophen-2-yl-3-pyrazolyl]benzamide IUPAC Name: 2-methyl-3-nitro-N-[2-(4-oxo-6-phenyl-1H-pyrimidin-2-yl)-5-thiophen-2-ylpyrazol-3-yl]benzamide Traditional Name: N-[2-(4-keto-6-phenyl-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]-2-methyl-3-nitro-benzamide Formula: C25H18N6O4S MolecularWeight: 498.51322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC(=NN2C3=NC(=O)C=C(N3)C4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC(=NN2C3=NC(=O)C=C(N3)C4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C25H18N6O4S/c1-15-17(9-5-10-20(15)31(34)35)24(33)27-22-13-19(21-11-6-12-36-21)29-30(22)25-26-18(14-23(32)28-25)16-7-3-2-4-8-16/h2-14H,1H3,(H,27,33)(H,26,28,32)