2-[(3-bromophenyl)methylsulfanyl]-N-[(2-pyrazol-1-ylpyridin-4-yl)methyl]pyridine-3-carboxamide

Systemtic Name: 2-[(3-bromophenyl)methylsulfanyl]-N-[(2-pyrazol-1-ylpyridin-4-yl)methyl]pyridine-3-carboxamide Openeye Name: 2-[(3-bromophenyl)methylsulfanyl]-N-[(2-pyrazol-1-yl-4-pyridyl)methyl]pyridine-3-carboxamide CAS Name: 2-[(3-bromophenyl)methylthio]-N-[[2-(1-pyrazolyl)-4-pyridinyl]methyl]-3-pyridinecarboxamide IUPAC Name: 2-[(3-bromophenyl)methylsulfanyl]-N-[(2-pyrazol-1-ylpyridin-4-yl)methyl]pyridine-3-carboxamide Traditional Name: 2-[(3-bromobenzyl)thio]-N-[(2-pyrazol-1-yl-4-pyridyl)methyl]nicotinamide Formula: C22H18BrN5OS MolecularWeight: 480.38022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CSC2=C(C=CC=N2)C(=O)NCC3=CC(=NC=C3)N4C=CC=N4

Isomeric SMILES

C1=CC(=CC(=C1)Br)CSC2=C(C=CC=N2)C(=O)NCC3=CC(=NC=C3)N4C=CC=N4

InChI

InChI=1S/C22H18BrN5OS/c23-18-5-1-4-17(12-18)15-30-22-19(6-2-8-25-22)21(29)26-14-16-7-10-24-20(13-16)28-11-3-9-27-28/h1-13H,14-15H2,(H,26,29)