3-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanyl-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]propanamide

Systemtic Name: 3-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanyl-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]propanamide Openeye Name: 3-[(3-cyano-4,5,6-trimethyl-2-pyridyl)sulfanyl]-N-[4-(3-nitrophenyl)thiazol-2-yl]propanamide CAS Name: 3-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)thio]-N-[4-(3-nitrophenyl)-2-thiazolyl]propanamide IUPAC Name: 3-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]propanamide Traditional Name: 3-[(3-cyano-4,5,6-trimethyl-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:

CC1=C(N=C(C(=C1C)C#N)SCCC(=O)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C#N)SCCC(=O)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])C

InChI

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