2-methylsulfanyl-7-phenyl-8-(trifluoromethyl)-1H-pyrrolo[1,2-a][1,3,5]triazin-4-one

Systemtic Name: 2-methylsulfanyl-7-phenyl-8-(trifluoromethyl)-1H-pyrrolo[1,2-a][1,3,5]triazin-4-one Openeye Name: 2-methylsulfanyl-7-phenyl-8-(trifluoromethyl)-1H-pyrrolo[1,2-a][1,3,5]triazin-4-one CAS Name: 2-(methylthio)-7-phenyl-8-(trifluoromethyl)-1H-pyrrolo[1,2-a][1,3,5]triazin-4-one IUPAC Name: 2-methylsulfanyl-7-phenyl-8-(trifluoromethyl)-1H-pyrrolo[1,2-a][1,3,5]triazin-4-one Traditional Name: 2-(methylthio)-7-phenyl-8-(trifluoromethyl)-1H-pyrrolo[1,2-a][1,3,5]triazin-4-one Formula: C14H10F3N3OS MolecularWeight: 325.30891

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)N2C=C(C(=C2N1)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

CSC1=NC(=O)N2C=C(C(=C2N1)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C14H10F3N3OS/c1-22-12-18-11-10(14(15,16)17)9(7-20(11)13(21)19-12)8-5-3-2-4-6-8/h2-7H,1H3,(H,18,19,21)