5-hex-1-ynyl-N-[1-(phenylsulfanylmethyl)pyrazol-4-yl]pyridine-3-carboxamide

Systemtic Name: 5-hex-1-ynyl-N-[1-(phenylsulfanylmethyl)pyrazol-4-yl]pyridine-3-carboxamide Openeye Name: 5-hex-1-ynyl-N-[1-(phenylsulfanylmethyl)pyrazol-4-yl]pyridine-3-carboxamide CAS Name: 5-hex-1-ynyl-N-[1-[(phenylthio)methyl]-4-pyrazolyl]-3-pyridinecarboxamide IUPAC Name: 5-hex-1-ynyl-N-[1-(phenylsulfanylmethyl)pyrazol-4-yl]pyridine-3-carboxamide Traditional Name: 5-hex-1-ynyl-N-[1-[(phenylthio)methyl]pyrazol-4-yl]nicotinamide Formula: C22H22N4OS MolecularWeight: 390.50128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=CC(=CN=C1)C(=O)NC2=CN(N=C2)CSC3=CC=CC=C3

Isomeric SMILES

CCCCC#CC1=CC(=CN=C1)C(=O)NC2=CN(N=C2)CSC3=CC=CC=C3

InChI

InChI=1S/C22H22N4OS/c1-2-3-4-6-9-18-12-19(14-23-13-18)22(27)25-20-15-24-26(16-20)17-28-21-10-7-5-8-11-21/h5,7-8,10-16H,2-4,17H2,1H3,(H,25,27)