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

Systemtic Name: 2-[(5-chloranyl-1-methyl-3-pyridin-3-yl-pyrazol-4-yl)methylsulfanyl]-N-isoquinolin-3-yl-benzamide Openeye Name: 2-[[5-chloro-1-methyl-3-(3-pyridyl)pyrazol-4-yl]methylsulfanyl]-N-(3-isoquinolyl)benzamide CAS Name: 2-[[5-chloro-1-methyl-3-(3-pyridinyl)-4-pyrazolyl]methylthio]-N-(3-isoquinolinyl)benzamide IUPAC Name: 2-[(5-chloro-1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylsulfanyl]-N-isoquinolin-3-ylbenzamide Traditional Name: 2-[[5-chloro-1-methyl-3-(3-pyridyl)pyrazol-4-yl]methylthio]-N-(3-isoquinolyl)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=CC=CC=C5C=N4)Cl

Isomeric SMILES

CN1C(=C(C(=N1)C2=CN=CC=C2)CSC3=CC=CC=C3C(=O)NC4=CC5=CC=CC=C5C=N4)Cl

InChI

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