N-pyridin-4-yl-2-[(2,3,4-trimethoxyphenyl)methylsulfinyl]pyridine-3-carboxamide

Systemtic Name: N-pyridin-4-yl-2-[(2,3,4-trimethoxyphenyl)methylsulfinyl]pyridine-3-carboxamide Openeye Name: N-(4-pyridyl)-2-[(2,3,4-trimethoxyphenyl)methylsulfinyl]pyridine-3-carboxamide CAS Name: N-pyridin-4-yl-2-[(2,3,4-trimethoxyphenyl)methylsulfinyl]-3-pyridinecarboxamide IUPAC Name: N-pyridin-4-yl-2-[(2,3,4-trimethoxyphenyl)methylsulfinyl]pyridine-3-carboxamide Traditional Name: N-(4-pyridyl)-2-(2,3,4-trimethoxybenzyl)sulfinyl-nicotinamide Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CS(=O)C2=C(C=CC=N2)C(=O)NC3=CC=NC=C3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CS(=O)C2=C(C=CC=N2)C(=O)NC3=CC=NC=C3)OC)OC

InChI

InChI=1S/C21H21N3O5S/c1-27-17-7-6-14(18(28-2)19(17)29-3)13-30(26)21-16(5-4-10-23-21)20(25)24-15-8-11-22-12-9-15/h4-12H,13H2,1-3H3,(H,22,24,25)