2-[(3-bromophenyl)methylsulfanyl]-N-(6-pyrazol-1-ylpyridin-3-yl)pyridine-3-carboxamide

Systemtic Name: 2-[(3-bromophenyl)methylsulfanyl]-N-(6-pyrazol-1-ylpyridin-3-yl)pyridine-3-carboxamide Openeye Name: 2-[(3-bromophenyl)methylsulfanyl]-N-(6-pyrazol-1-yl-3-pyridyl)pyridine-3-carboxamide CAS Name: 2-[(3-bromophenyl)methylthio]-N-[6-(1-pyrazolyl)-3-pyridinyl]-3-pyridinecarboxamide IUPAC Name: 2-[(3-bromophenyl)methylsulfanyl]-N-(6-pyrazol-1-ylpyridin-3-yl)pyridine-3-carboxamide Traditional Name: 2-[(3-bromobenzyl)thio]-N-(6-pyrazol-1-yl-3-pyridyl)nicotinamide Formula: C21H16BrN5OS MolecularWeight: 466.35364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CSC2=C(C=CC=N2)C(=O)NC3=CN=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1=CC(=CC(=C1)Br)CSC2=C(C=CC=N2)C(=O)NC3=CN=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C21H16BrN5OS/c22-16-5-1-4-15(12-16)14-29-21-18(6-2-9-23-21)20(28)26-17-7-8-19(24-13-17)27-11-3-10-25-27/h1-13H,14H2,(H,26,28)