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

Systemtic Name: [3-butyl-4-oxidanylidene-7-(trifluoromethyl)quinazolin-2-yl]methyl thiocyanate Openeye Name: [3-butyl-4-oxo-7-(trifluoromethyl)quinazolin-2-yl]methyl thiocyanate CAS Name: thiocyanic acid [3-butyl-4-oxo-7-(trifluoromethyl)-2-quinazolinyl]methyl ester IUPAC Name: [3-butyl-4-oxo-7-(trifluoromethyl)quinazolin-2-yl]methyl thiocyanate Traditional Name: thiocyanic acid [3-butyl-4-keto-7-(trifluoromethyl)quinazolin-2-yl]methyl ester Formula: C15H14F3N3OS MolecularWeight: 341.35137

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C(C1=O)C=CC(=C2)C(F)(F)F)CSC#N

Isomeric SMILES

CCCCN1C(=NC2=C(C1=O)C=CC(=C2)C(F)(F)F)CSC#N

InChI

InChI=1S/C15H14F3N3OS/c1-2-3-6-21-13(8-23-9-19)20-12-7-10(15(16,17)18)4-5-11(12)14(21)22/h4-5,7H,2-3,6,8H2,1H3