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

Systemtic Name: N-[6-azanyl-2-[(4-chlorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide Openeye Name: N-[6-amino-2-[(4-chlorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide CAS Name: N-[6-amino-2-[(4-chlorophenyl)methylthio]-4-oxo-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide IUPAC Name: N-[6-amino-2-[(4-chlorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide Traditional Name: N-[6-amino-2-[(4-chlorobenzyl)thio]-4-keto-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide Formula: C19H14ClF3N4O2S MolecularWeight: 454.85327

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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)Cl

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=C(C=C3)C(F)(F)F)Cl

InChI

InChI=1S/C19H14ClF3N4O2S/c20-13-7-1-10(2-8-13)9-30-18-26-15(24)14(17(29)27-18)25-16(28)11-3-5-12(6-4-11)19(21,22)23/h1-8H,9H2,(H,25,28)(H3,24,26,27,29)