N-[4-nitro-2-(trifluoromethyl)phenyl]-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide

Systemtic Name: N-[4-nitro-2-(trifluoromethyl)phenyl]-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide Openeye Name: N-[4-nitro-2-(trifluoromethyl)phenyl]-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide CAS Name: N-[4-nitro-2-(trifluoromethyl)phenyl]-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]propanamide IUPAC Name: N-[4-nitro-2-(trifluoromethyl)phenyl]-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide Traditional Name: 2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]-N-[4-nitro-2-(trifluoromethyl)phenyl]propionamide Formula: C17H17F3N4O4S MolecularWeight: 430.40149

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SC(C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SC(C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C17H17F3N4O4S/c1-3-4-10-7-14(25)23-16(21-10)29-9(2)15(26)22-13-6-5-11(24(27)28)8-12(13)17(18,19)20/h5-9H,3-4H2,1-2H3,(H,22,26)(H,21,23,25)