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

Systemtic Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-(6-phenylpyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-(6-phenylpyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(4-cyano-2-phenyl-3-pyrazolyl)-2-[(6-phenyl-4-pyrimidinyl)thio]acetamide IUPAC Name: N-(4-cyano-2-phenylpyrazol-3-yl)-2-(6-phenylpyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-[(6-phenylpyrimidin-4-yl)thio]acetamide Formula: C22H16N6OS MolecularWeight: 412.46704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC=N2)SCC(=O)NC3=C(C=NN3C4=CC=CC=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC=N2)SCC(=O)NC3=C(C=NN3C4=CC=CC=C4)C#N

InChI

InChI=1S/C22H16N6OS/c23-12-17-13-26-28(18-9-5-2-6-10-18)22(17)27-20(29)14-30-21-11-19(24-15-25-21)16-7-3-1-4-8-16/h1-11,13,15H,14H2,(H,27,29)