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

Systemtic Name: 2-[(5-chloranyl-1-methyl-3-pyridin-4-yl-pyrazol-4-yl)methylsulfanyl]-N-(1-methylisoquinolin-3-yl)benzamide Openeye Name: 2-[[5-chloro-1-methyl-3-(4-pyridyl)pyrazol-4-yl]methylsulfanyl]-N-(1-methyl-3-isoquinolyl)benzamide CAS Name: 2-[(5-chloro-1-methyl-3-pyridin-4-yl-4-pyrazolyl)methylthio]-N-(1-methyl-3-isoquinolinyl)benzamide IUPAC Name: 2-[(5-chloro-1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylsulfanyl]-N-(1-methylisoquinolin-3-yl)benzamide Traditional Name: 2-[[5-chloro-1-methyl-3-(4-pyridyl)pyrazol-4-yl]methylthio]-N-(1-methyl-3-isoquinolyl)benzamide Formula: C27H22ClN5OS MolecularWeight: 500.01448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC2=CC=CC=C12)NC(=O)C3=CC=CC=C3SCC4=C(N(N=C4C5=CC=NC=C5)C)Cl

Isomeric SMILES

CC1=NC(=CC2=CC=CC=C12)NC(=O)C3=CC=CC=C3SCC4=C(N(N=C4C5=CC=NC=C5)C)Cl

InChI

InChI=1S/C27H22ClN5OS/c1-17-20-8-4-3-7-19(20)15-24(30-17)31-27(34)21-9-5-6-10-23(21)35-16-22-25(32-33(2)26(22)28)18-11-13-29-14-12-18/h3-15H,16H2,1-2H3,(H,30,31,34)