2-(5-bromanylpyridin-2-yl)sulfanyl-N-[(2-pyrazol-1-ylpyridin-3-yl)methyl]benzamide

Systemtic Name: 2-(5-bromanylpyridin-2-yl)sulfanyl-N-[(2-pyrazol-1-ylpyridin-3-yl)methyl]benzamide Openeye Name: 2-[(5-bromo-2-pyridyl)sulfanyl]-N-[(2-pyrazol-1-yl-3-pyridyl)methyl]benzamide CAS Name: 2-[(5-bromo-2-pyridinyl)thio]-N-[[2-(1-pyrazolyl)-3-pyridinyl]methyl]benzamide IUPAC Name: 2-(5-bromopyridin-2-yl)sulfanyl-N-[(2-pyrazol-1-ylpyridin-3-yl)methyl]benzamide Traditional Name: 2-[(5-bromo-2-pyridyl)thio]-N-[(2-pyrazol-1-yl-3-pyridyl)methyl]benzamide Formula: C21H16BrN5OS MolecularWeight: 466.35364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCC2=C(N=CC=C2)N3C=CC=N3)SC4=NC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCC2=C(N=CC=C2)N3C=CC=N3)SC4=NC=C(C=C4)Br

InChI

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