2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[4-nitro-2-(trifluoromethyl)phenyl]propanamide

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[4-nitro-2-(trifluoromethyl)phenyl]propanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-[4-nitro-2-(trifluoromethyl)phenyl]propanamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-[4-nitro-2-(trifluoromethyl)phenyl]propanamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-[4-nitro-2-(trifluoromethyl)phenyl]propanamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-[4-nitro-2-(trifluoromethyl)phenyl]propionamide Formula: C15H11F3N6O3S MolecularWeight: 412.34645

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F)SC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F)SC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C15H11F3N6O3S/c1-7(28-14-21-6-8(5-19)12(20)23-14)13(25)22-11-3-2-9(24(26)27)4-10(11)15(16,17)18/h2-4,6-7H,1H3,(H,22,25)(H2,20,21,23)