4-[2-(4-methoxyphenyl)ethyl]-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide

Systemtic Name: 4-[2-(4-methoxyphenyl)ethyl]-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide Openeye Name: 4-[2-(4-methoxyphenyl)ethyl]-2-(4-pyridylmethylsulfanyl)pyridine-3-carboxamide CAS Name: 4-[2-(4-methoxyphenyl)ethyl]-2-(pyridin-4-ylmethylthio)-3-pyridinecarboxamide IUPAC Name: 4-[2-(4-methoxyphenyl)ethyl]-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide Traditional Name: 4-[2-(4-methoxyphenyl)ethyl]-2-(4-pyridylmethylthio)nicotinamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC2=C(C(=NC=C2)SCC3=CC=NC=C3)C(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)CCC2=C(C(=NC=C2)SCC3=CC=NC=C3)C(=O)N

InChI

InChI=1S/C21H21N3O2S/c1-26-18-6-3-15(4-7-18)2-5-17-10-13-24-21(19(17)20(22)25)27-14-16-8-11-23-12-9-16/h3-4,6-13H,2,5,14H2,1H3,(H2,22,25)