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

Systemtic Name: 3-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide Openeye Name: 3-[(6-butyl-3-cyano-2-pyridyl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide CAS Name: 3-[(6-butyl-3-cyano-2-pyridinyl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide IUPAC Name: 3-(6-butyl-3-cyanopyridin-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide Traditional Name: 3-[(6-butyl-3-cyano-2-pyridyl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propionamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C=C1)C#N)SCCC(=O)NC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCCCC1=NC(=C(C=C1)C#N)SCCC(=O)NC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H23N3O3S/c1-2-3-4-16-6-5-15(14-22)21(24-16)28-12-9-20(25)23-17-7-8-18-19(13-17)27-11-10-26-18/h5-8,13H,2-4,9-12H2,1H3,(H,23,25)