N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2-phenylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2-phenylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[4-methoxy-3-(4-pyridylmethoxy)phenyl]-2-phenylsulfanyl-pyridine-3-carboxamide CAS Name: N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2-(phenylthio)-3-pyridinecarboxamide IUPAC Name: N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2-phenylsulfanylpyridine-3-carboxamide Traditional Name: N-[4-methoxy-3-(4-pyridylmethoxy)phenyl]-2-(phenylthio)nicotinamide Formula: C25H21N3O3S MolecularWeight: 443.51754

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3)OCC4=CC=NC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3)OCC4=CC=NC=C4

InChI

InChI=1S/C25H21N3O3S/c1-30-22-10-9-19(16-23(22)31-17-18-11-14-26-15-12-18)28-24(29)21-8-5-13-27-25(21)32-20-6-3-2-4-7-20/h2-16H,17H2,1H3,(H,28,29)