2-phenylsulfanyl-N-[(6-pyrazol-1-ylpyridin-3-yl)methyl]propanamide

Systemtic Name: 2-phenylsulfanyl-N-[(6-pyrazol-1-ylpyridin-3-yl)methyl]propanamide Openeye Name: 2-phenylsulfanyl-N-[(6-pyrazol-1-yl-3-pyridyl)methyl]propanamide CAS Name: 2-(phenylthio)-N-[[6-(1-pyrazolyl)-3-pyridinyl]methyl]propanamide IUPAC Name: 2-phenylsulfanyl-N-[(6-pyrazol-1-ylpyridin-3-yl)methyl]propanamide Traditional Name: 2-(phenylthio)-N-[(6-pyrazol-1-yl-3-pyridyl)methyl]propionamide Formula: C18H18N4OS MolecularWeight: 338.42672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CN=C(C=C1)N2C=CC=N2)SC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NCC1=CN=C(C=C1)N2C=CC=N2)SC3=CC=CC=C3

InChI

InChI=1S/C18H18N4OS/c1-14(24-16-6-3-2-4-7-16)18(23)20-13-15-8-9-17(19-12-15)22-11-5-10-21-22/h2-12,14H,13H2,1H3,(H,20,23)