3-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-N-(4-iodophenyl)propanamide

Systemtic Name: 3-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-N-(4-iodophenyl)propanamide Openeye Name: 3-[(6-butyl-3-cyano-2-pyridyl)sulfanyl]-N-(4-iodophenyl)propanamide CAS Name: 3-[(6-butyl-3-cyano-2-pyridinyl)thio]-N-(4-iodophenyl)propanamide IUPAC Name: 3-(6-butyl-3-cyanopyridin-2-yl)sulfanyl-N-(4-iodophenyl)propanamide Traditional Name: 3-[(6-butyl-3-cyano-2-pyridyl)thio]-N-(4-iodophenyl)propionamide Formula: C19H20IN3OS MolecularWeight: 465.35107

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C=C1)C#N)SCCC(=O)NC2=CC=C(C=C2)I

Isomeric SMILES

CCCCC1=NC(=C(C=C1)C#N)SCCC(=O)NC2=CC=C(C=C2)I

InChI

InChI=1S/C19H20IN3OS/c1-2-3-4-16-8-5-14(13-21)19(23-16)25-12-11-18(24)22-17-9-6-15(20)7-10-17/h5-10H,2-4,11-12H2,1H3,(H,22,24)