N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(4-cyano-2-phenyl-3-pyrazolyl)-2-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]acetamide IUPAC Name: N-(4-cyano-2-phenylpyrazol-3-yl)-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]acetamide Formula: C23H18N6OS MolecularWeight: 426.49362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)SCC(=O)NC2=C(C=NN2C3=CC=CC=C3)C#N)C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=CC(=N1)SCC(=O)NC2=C(C=NN2C3=CC=CC=C3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C23H18N6OS/c1-16-26-20(17-8-4-2-5-9-17)12-22(27-16)31-15-21(30)28-23-18(13-24)14-25-29(23)19-10-6-3-7-11-19/h2-12,14H,15H2,1H3,(H,28,30)