2-[(5-chloranyl-1-methyl-3-pyridin-3-yl-pyrazol-4-yl)methylsulfanyl]-N-quinolin-6-yl-benzamide

Systemtic Name: 2-[(5-chloranyl-1-methyl-3-pyridin-3-yl-pyrazol-4-yl)methylsulfanyl]-N-quinolin-6-yl-benzamide Openeye Name: 2-[[5-chloro-1-methyl-3-(3-pyridyl)pyrazol-4-yl]methylsulfanyl]-N-(6-quinolyl)benzamide CAS Name: 2-[[5-chloro-1-methyl-3-(3-pyridinyl)-4-pyrazolyl]methylthio]-N-(6-quinolinyl)benzamide IUPAC Name: 2-[(5-chloro-1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylsulfanyl]-N-quinolin-6-ylbenzamide Traditional Name: 2-[[5-chloro-1-methyl-3-(3-pyridyl)pyrazol-4-yl]methylthio]-N-(6-quinolyl)benzamide Formula: C26H20ClN5OS MolecularWeight: 485.9879

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C2=CN=CC=C2)CSC3=CC=CC=C3C(=O)NC4=CC5=C(C=C4)N=CC=C5)Cl

Isomeric SMILES

CN1C(=C(C(=N1)C2=CN=CC=C2)CSC3=CC=CC=C3C(=O)NC4=CC5=C(C=C4)N=CC=C5)Cl

InChI

InChI=1S/C26H20ClN5OS/c1-32-25(27)21(24(31-32)18-7-4-12-28-15-18)16-34-23-9-3-2-8-20(23)26(33)30-19-10-11-22-17(14-19)6-5-13-29-22/h2-15H,16H2,1H3,(H,30,33)