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

Systemtic Name: N-[2-(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)-5-thiophen-2-yl-pyrazol-3-yl]-4-phenyl-benzamide Openeye Name: N-[2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]-4-phenyl-benzamide CAS Name: N-[2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)-5-thiophen-2-yl-3-pyrazolyl]-4-phenylbenzamide IUPAC Name: N-[2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)-5-thiophen-2-ylpyrazol-3-yl]-4-phenylbenzamide Traditional Name: N-[2-(4-keto-6-propyl-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]-4-phenyl-benzamide Formula: C27H23N5O2S MolecularWeight: 481.56882

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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)C5=CC=CC=C5

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)N2C(=CC(=N2)C3=CC=CS3)NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H23N5O2S/c1-2-7-21-16-25(33)30-27(28-21)32-24(17-22(31-32)23-10-6-15-35-23)29-26(34)20-13-11-19(12-14-20)18-8-4-3-5-9-18/h3-6,8-17H,2,7H2,1H3,(H,29,34)(H,28,30,33)