N-(1,3-benzothiazol-2-yl)-2-(3-cyano-6-propyl-pyridin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-(3-cyano-6-propyl-pyridin-2-yl)sulfanyl-propanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[(3-cyano-6-propyl-2-pyridyl)sulfanyl]propanamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[(3-cyano-6-propyl-2-pyridinyl)thio]propanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-(3-cyano-6-propylpyridin-2-yl)sulfanylpropanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[(3-cyano-6-propyl-2-pyridyl)thio]propionamide Formula: C19H18N4OS2 MolecularWeight: 382.50242

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(C=C1)C#N)SC(C)C(=O)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCC1=NC(=C(C=C1)C#N)SC(C)C(=O)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H18N4OS2/c1-3-6-14-10-9-13(11-20)18(21-14)25-12(2)17(24)23-19-22-15-7-4-5-8-16(15)26-19/h4-5,7-10,12H,3,6H2,1-2H3,(H,22,23,24)