N-(2-bromanylpyridin-4-yl)-2-[(2,4-dimethoxyphenyl)methylsulfanyl]pyridine-3-carboxamide

Systemtic Name: N-(2-bromanylpyridin-4-yl)-2-[(2,4-dimethoxyphenyl)methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-(2-bromo-4-pyridyl)-2-[(2,4-dimethoxyphenyl)methylsulfanyl]pyridine-3-carboxamide CAS Name: N-(2-bromo-4-pyridinyl)-2-[(2,4-dimethoxyphenyl)methylthio]-3-pyridinecarboxamide IUPAC Name: N-(2-bromopyridin-4-yl)-2-[(2,4-dimethoxyphenyl)methylsulfanyl]pyridine-3-carboxamide Traditional Name: N-(2-bromo-4-pyridyl)-2-[(2,4-dimethoxybenzyl)thio]nicotinamide Formula: C20H18BrN3O3S MolecularWeight: 460.34422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CSC2=C(C=CC=N2)C(=O)NC3=CC(=NC=C3)Br)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CSC2=C(C=CC=N2)C(=O)NC3=CC(=NC=C3)Br)OC

InChI

InChI=1S/C20H18BrN3O3S/c1-26-15-6-5-13(17(11-15)27-2)12-28-20-16(4-3-8-23-20)19(25)24-14-7-9-22-18(21)10-14/h3-11H,12H2,1-2H3,(H,22,24,25)