[3-methyl-4-oxidanylidene-7-(trifluoromethyl)quinazolin-2-yl]methyl thiocyanate

Systemtic Name: [3-methyl-4-oxidanylidene-7-(trifluoromethyl)quinazolin-2-yl]methyl thiocyanate Openeye Name: [3-methyl-4-oxo-7-(trifluoromethyl)quinazolin-2-yl]methyl thiocyanate CAS Name: thiocyanic acid [3-methyl-4-oxo-7-(trifluoromethyl)-2-quinazolinyl]methyl ester IUPAC Name: [3-methyl-4-oxo-7-(trifluoromethyl)quinazolin-2-yl]methyl thiocyanate Traditional Name: thiocyanic acid [4-keto-3-methyl-7-(trifluoromethyl)quinazolin-2-yl]methyl ester Formula: C12H8F3N3OS MolecularWeight: 299.27163

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C(C1=O)C=CC(=C2)C(F)(F)F)CSC#N

Isomeric SMILES

CN1C(=NC2=C(C1=O)C=CC(=C2)C(F)(F)F)CSC#N

InChI

InChI=1S/C12H8F3N3OS/c1-18-10(5-20-6-16)17-9-4-7(12(13,14)15)2-3-8(9)11(18)19/h2-4H,5H2,1H3