2-(phenylmethylsulfanyl)-N-[(2-pyrazol-1-ylpyridin-4-yl)methyl]propanamide

Systemtic Name: 2-(phenylmethylsulfanyl)-N-[(2-pyrazol-1-ylpyridin-4-yl)methyl]propanamide Openeye Name: 2-benzylsulfanyl-N-[(2-pyrazol-1-yl-4-pyridyl)methyl]propanamide CAS Name: 2-(phenylmethylthio)-N-[[2-(1-pyrazolyl)-4-pyridinyl]methyl]propanamide IUPAC Name: 2-benzylsulfanyl-N-[(2-pyrazol-1-ylpyridin-4-yl)methyl]propanamide Traditional Name: 2-(benzylthio)-N-[(2-pyrazol-1-yl-4-pyridyl)methyl]propionamide Formula: C19H20N4OS MolecularWeight: 352.4533

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC(=NC=C1)N2C=CC=N2)SCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NCC1=CC(=NC=C1)N2C=CC=N2)SCC3=CC=CC=C3

InChI

InChI=1S/C19H20N4OS/c1-15(25-14-16-6-3-2-4-7-16)19(24)21-13-17-8-10-20-18(12-17)23-11-5-9-22-23/h2-12,15H,13-14H2,1H3,(H,21,24)