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

Systemtic Name: 3-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]propanamide Openeye Name: 3-[(6-butyl-3-cyano-2-pyridyl)sulfanyl]-N-[4-(3-nitrophenyl)thiazol-2-yl]propanamide CAS Name: 3-[(6-butyl-3-cyano-2-pyridinyl)thio]-N-[4-(3-nitrophenyl)-2-thiazolyl]propanamide IUPAC Name: 3-(6-butyl-3-cyanopyridin-2-yl)sulfanyl-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]propanamide Traditional Name: 3-[(6-butyl-3-cyano-2-pyridyl)thio]-N-[4-(3-nitrophenyl)thiazol-2-yl]propionamide Formula: C22H21N5O3S2 MolecularWeight: 467.56384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C=C1)C#N)SCCC(=O)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=NC(=C(C=C1)C#N)SCCC(=O)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O3S2/c1-2-3-6-17-9-8-16(13-23)21(24-17)31-11-10-20(28)26-22-25-19(14-32-22)15-5-4-7-18(12-15)27(29)30/h4-5,7-9,12,14H,2-3,6,10-11H2,1H3,(H,25,26,28)