3-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide

Systemtic Name: 3-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide Openeye Name: 3-[(6-butyl-3-cyano-2-pyridyl)sulfanyl]-N-[4-(2-thienyl)thiazol-2-yl]propanamide CAS Name: 3-[(6-butyl-3-cyano-2-pyridinyl)thio]-N-(4-thiophen-2-yl-2-thiazolyl)propanamide IUPAC Name: 3-(6-butyl-3-cyanopyridin-2-yl)sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide Traditional Name: 3-[(6-butyl-3-cyano-2-pyridyl)thio]-N-[4-(2-thienyl)thiazol-2-yl]propionamide Formula: C20H20N4OS3 MolecularWeight: 428.594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C=C1)C#N)SCCC(=O)NC2=NC(=CS2)C3=CC=CS3

Isomeric SMILES

CCCCC1=NC(=C(C=C1)C#N)SCCC(=O)NC2=NC(=CS2)C3=CC=CS3

InChI

InChI=1S/C20H20N4OS3/c1-2-3-5-15-8-7-14(12-21)19(22-15)27-11-9-18(25)24-20-23-16(13-28-20)17-6-4-10-26-17/h4,6-8,10,13H,2-3,5,9,11H2,1H3,(H,23,24,25)