2-[3-cyano-4-(1,3-diphenylpyrazol-4-yl)-6-phenyl-pyridin-2-yl]sulfanylethanamide

Systemtic Name: 2-[3-cyano-4-(1,3-diphenylpyrazol-4-yl)-6-phenyl-pyridin-2-yl]sulfanylethanamide Openeye Name: 2-[[3-cyano-4-(1,3-diphenylpyrazol-4-yl)-6-phenyl-2-pyridyl]sulfanyl]acetamide CAS Name: 2-[[3-cyano-4-(1,3-diphenyl-4-pyrazolyl)-6-phenyl-2-pyridinyl]thio]acetamide IUPAC Name: 2-[3-cyano-4-(1,3-diphenylpyrazol-4-yl)-6-phenylpyridin-2-yl]sulfanylacetamide Traditional Name: 2-[[3-cyano-4-(1,3-diphenylpyrazol-4-yl)-6-phenyl-2-pyridyl]thio]acetamide Formula: C29H21N5OS MolecularWeight: 487.57494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)C#N)SCC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)C#N)SCC(=O)N

InChI

InChI=1S/C29H21N5OS/c30-17-24-23(16-26(20-10-4-1-5-11-20)32-29(24)36-19-27(31)35)25-18-34(22-14-8-3-9-15-22)33-28(25)21-12-6-2-7-13-21/h1-16,18H,19H2,(H2,31,35)