2-(3-azanylpyridin-4-yl)sulfanyl-N-butyl-propanamide

Systemtic Name: 2-(3-azanylpyridin-4-yl)sulfanyl-N-butyl-propanamide Openeye Name: 2-[(3-amino-4-pyridyl)sulfanyl]-N-butyl-propanamide CAS Name: 2-[(3-amino-4-pyridinyl)thio]-N-butylpropanamide IUPAC Name: 2-(3-aminopyridin-4-yl)sulfanyl-N-butylpropanamide Traditional Name: 2-[(3-amino-4-pyridyl)thio]-N-butyl-propionamide Formula: C12H19N3OS MolecularWeight: 253.36376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C)SC1=C(C=NC=C1)N

Isomeric SMILES

CCCCNC(=O)C(C)SC1=C(C=NC=C1)N

InChI

InChI=1S/C12H19N3OS/c1-3-4-6-15-12(16)9(2)17-11-5-7-14-8-10(11)13/h5,7-9H,3-4,6,13H2,1-2H3,(H,15,16)