3-(2-pyridin-2-ylethylsulfanyl)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide

Systemtic Name: 3-(2-pyridin-2-ylethylsulfanyl)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide Openeye Name: 3-[2-(2-pyridyl)ethylsulfanyl]-N-[4-(4-pyridylmethyl)phenyl]propanamide CAS Name: 3-[2-(2-pyridinyl)ethylthio]-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide IUPAC Name: 3-(2-pyridin-2-ylethylsulfanyl)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide Traditional Name: 3-[2-(2-pyridyl)ethylthio]-N-[4-(4-pyridylmethyl)phenyl]propionamide Formula: C22H23N3OS MolecularWeight: 377.50252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CCSCCC(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3

Isomeric SMILES

C1=CC=NC(=C1)CCSCCC(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3

InChI

InChI=1S/C22H23N3OS/c26-22(11-16-27-15-10-20-3-1-2-12-24-20)25-21-6-4-18(5-7-21)17-19-8-13-23-14-9-19/h1-9,12-14H,10-11,15-17H2,(H,25,26)