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

Systemtic Name: N-[2-nitro-4-(trifluoromethyl)phenyl]-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanamide Openeye Name: N-[2-nitro-4-(trifluoromethyl)phenyl]-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide CAS Name: N-[2-nitro-4-(trifluoromethyl)phenyl]-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]acetamide IUPAC Name: N-[2-nitro-4-(trifluoromethyl)phenyl]-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide Traditional Name: 2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]-N-[2-nitro-4-(trifluoromethyl)phenyl]acetamide Formula: C16H15F3N4O4S MolecularWeight: 416.37491

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15F3N4O4S/c1-2-3-10-7-13(24)22-15(20-10)28-8-14(25)21-11-5-4-9(16(17,18)19)6-12(11)23(26)27/h4-7H,2-3,8H2,1H3,(H,21,25)(H,20,22,24)