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

Systemtic Name: N-[2-(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-thiophen-2-yl-pyrazol-3-yl]-4-methyl-3-nitro-benzamide Openeye Name: N-[2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]-4-methyl-3-nitro-benzamide CAS Name: N-[2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)-5-thiophen-2-yl-3-pyrazolyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)-5-thiophen-2-ylpyrazol-3-yl]-4-methyl-3-nitrobenzamide Traditional Name: N-[2-(4-keto-5,6-dimethyl-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]-4-methyl-3-nitro-benzamide Formula: C21H18N6O4S MolecularWeight: 450.47042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC(=NN2C3=NC(=O)C(=C(N3)C)C)C4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC(=NN2C3=NC(=O)C(=C(N3)C)C)C4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C21H18N6O4S/c1-11-6-7-14(9-16(11)27(30)31)20(29)23-18-10-15(17-5-4-8-32-17)25-26(18)21-22-13(3)12(2)19(28)24-21/h4-10H,1-3H3,(H,23,29)(H,22,24,28)