N-[6-azanyl-2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide

Systemtic Name: N-[6-azanyl-2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide Openeye Name: N-[6-amino-2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide CAS Name: N-[6-amino-2-[(4-nitrophenyl)methylthio]-4-oxo-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide IUPAC Name: N-[6-amino-2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide Traditional Name: N-[6-amino-4-keto-2-[(4-nitrobenzyl)thio]-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide Formula: C19H14F3N5O4S MolecularWeight: 465.40577

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H14F3N5O4S/c20-19(21,22)12-5-3-11(4-6-12)16(28)24-14-15(23)25-18(26-17(14)29)32-9-10-1-7-13(8-2-10)27(30)31/h1-8H,9H2,(H,24,28)(H3,23,25,26,29)