2-(3-cyano-6-propyl-pyridin-2-yl)sulfanyl-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]propanamide

Systemtic Name: 2-(3-cyano-6-propyl-pyridin-2-yl)sulfanyl-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]propanamide Openeye Name: 2-[(3-cyano-6-propyl-2-pyridyl)sulfanyl]-N-[4-(3-nitrophenyl)thiazol-2-yl]propanamide CAS Name: 2-[(3-cyano-6-propyl-2-pyridinyl)thio]-N-[4-(3-nitrophenyl)-2-thiazolyl]propanamide IUPAC Name: 2-(3-cyano-6-propylpyridin-2-yl)sulfanyl-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]propanamide Traditional Name: 2-[(3-cyano-6-propyl-2-pyridyl)thio]-N-[4-(3-nitrophenyl)thiazol-2-yl]propionamide Formula: C21H19N5O3S2 MolecularWeight: 453.53726

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(C=C1)C#N)SC(C)C(=O)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NC(=C(C=C1)C#N)SC(C)C(=O)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H19N5O3S2/c1-3-5-16-9-8-15(11-22)20(23-16)31-13(2)19(27)25-21-24-18(12-30-21)14-6-4-7-17(10-14)26(28)29/h4,6-10,12-13H,3,5H2,1-2H3,(H,24,25,27)