2-[(2,4-diethoxyphenyl)methylsulfanyl]-N-pyridin-4-yl-pyridine-3-carboxamide

Systemtic Name: 2-[(2,4-diethoxyphenyl)methylsulfanyl]-N-pyridin-4-yl-pyridine-3-carboxamide Openeye Name: 2-[(2,4-diethoxyphenyl)methylsulfanyl]-N-(4-pyridyl)pyridine-3-carboxamide CAS Name: 2-[(2,4-diethoxyphenyl)methylthio]-N-pyridin-4-yl-3-pyridinecarboxamide IUPAC Name: 2-[(2,4-diethoxyphenyl)methylsulfanyl]-N-pyridin-4-ylpyridine-3-carboxamide Traditional Name: 2-[(2,4-diethoxybenzyl)thio]-N-(4-pyridyl)nicotinamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)CSC2=C(C=CC=N2)C(=O)NC3=CC=NC=C3)OCC

Isomeric SMILES

CCOC1=CC(=C(C=C1)CSC2=C(C=CC=N2)C(=O)NC3=CC=NC=C3)OCC

InChI

InChI=1S/C22H23N3O3S/c1-3-27-18-8-7-16(20(14-18)28-4-2)15-29-22-19(6-5-11-24-22)21(26)25-17-9-12-23-13-10-17/h5-14H,3-4,15H2,1-2H3,(H,23,25,26)