2-phenylsulfanyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide

Systemtic Name: 2-phenylsulfanyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide Openeye Name: 2-phenylsulfanyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide CAS Name: 2-(phenylthio)-N-[[2-(1-pyrazolylmethyl)phenyl]methyl]-3-pyridinecarboxamide IUPAC Name: 2-phenylsulfanyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide Traditional Name: 2-(phenylthio)-N-[2-(pyrazol-1-ylmethyl)benzyl]nicotinamide Formula: C23H20N4OS MolecularWeight: 400.4961

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)NCC3=CC=CC=C3CN4C=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)NCC3=CC=CC=C3CN4C=CC=N4

InChI

InChI=1S/C23H20N4OS/c28-22(21-12-6-13-24-23(21)29-20-10-2-1-3-11-20)25-16-18-8-4-5-9-19(18)17-27-15-7-14-26-27/h1-15H,16-17H2,(H,25,28)