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

Systemtic Name: N-[2-(6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-thiophen-2-yl-pyrazol-3-yl]-2-nitro-benzamide Openeye Name: N-[2-(6-ethyl-4-oxo-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]-2-nitro-benzamide CAS Name: N-[2-(6-ethyl-4-oxo-1H-pyrimidin-2-yl)-5-thiophen-2-yl-3-pyrazolyl]-2-nitrobenzamide IUPAC Name: N-[2-(6-ethyl-4-oxo-1H-pyrimidin-2-yl)-5-thiophen-2-ylpyrazol-3-yl]-2-nitrobenzamide Traditional Name: N-[2-(6-ethyl-4-keto-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]-2-nitro-benzamide Formula: C20H16N6O4S MolecularWeight: 436.44384

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)N=C(N1)N2C(=CC(=N2)C3=CC=CS3)NC(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CCC1=CC(=O)N=C(N1)N2C(=CC(=N2)C3=CC=CS3)NC(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C20H16N6O4S/c1-2-12-10-18(27)23-20(21-12)25-17(11-14(24-25)16-8-5-9-31-16)22-19(28)13-6-3-4-7-15(13)26(29)30/h3-11H,2H2,1H3,(H,22,28)(H,21,23,27)