N-[1-(4-cyanobutyl)pyrazol-4-yl]-2-ethylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[1-(4-cyanobutyl)pyrazol-4-yl]-2-ethylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[1-(4-cyanobutyl)pyrazol-4-yl]-2-ethylsulfanyl-pyridine-3-carboxamide CAS Name: N-[1-(4-cyanobutyl)-4-pyrazolyl]-2-(ethylthio)-3-pyridinecarboxamide IUPAC Name: N-[1-(4-cyanobutyl)pyrazol-4-yl]-2-ethylsulfanylpyridine-3-carboxamide Traditional Name: N-[1-(4-cyanobutyl)pyrazol-4-yl]-2-(ethylthio)nicotinamide Formula: C16H19N5OS MolecularWeight: 329.41996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=CC=N1)C(=O)NC2=CN(N=C2)CCCCC#N

Isomeric SMILES

CCSC1=C(C=CC=N1)C(=O)NC2=CN(N=C2)CCCCC#N

InChI

InChI=1S/C16H19N5OS/c1-2-23-16-14(7-6-9-18-16)15(22)20-13-11-19-21(12-13)10-5-3-4-8-17/h6-7,9,11-12H,2-5,10H2,1H3,(H,20,22)