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

Systemtic Name: 2-phenylsulfanyl-N-[(6-pyrazol-1-ylpyridin-3-yl)methyl]pyridine-3-carboxamide Openeye Name: 2-phenylsulfanyl-N-[(6-pyrazol-1-yl-3-pyridyl)methyl]pyridine-3-carboxamide CAS Name: 2-(phenylthio)-N-[[6-(1-pyrazolyl)-3-pyridinyl]methyl]-3-pyridinecarboxamide IUPAC Name: 2-phenylsulfanyl-N-[(6-pyrazol-1-ylpyridin-3-yl)methyl]pyridine-3-carboxamide Traditional Name: 2-(phenylthio)-N-[(6-pyrazol-1-yl-3-pyridyl)methyl]nicotinamide Formula: C21H17N5OS MolecularWeight: 387.45758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)NCC3=CN=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)NCC3=CN=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C21H17N5OS/c27-20(18-8-4-11-22-21(18)28-17-6-2-1-3-7-17)24-15-16-9-10-19(23-14-16)26-13-5-12-25-26/h1-14H,15H2,(H,24,27)