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

Systemtic Name: [4-oxidanylidene-3-(2-oxidanylidenepropyl)quinazolin-2-yl]methyl thiocyanate Openeye Name: (3-acetonyl-4-oxo-quinazolin-2-yl)methyl thiocyanate CAS Name: thiocyanic acid [4-oxo-3-(2-oxopropyl)-2-quinazolinyl]methyl ester IUPAC Name: [4-oxo-3-(2-oxopropyl)quinazolin-2-yl]methyl thiocyanate Traditional Name: thiocyanic acid (3-acetonyl-4-keto-quinazolin-2-yl)methyl ester Formula: C13H11N3O2S MolecularWeight: 273.31034

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C(=NC2=CC=CC=C2C1=O)CSC#N

Isomeric SMILES

CC(=O)CN1C(=NC2=CC=CC=C2C1=O)CSC#N

InChI

InChI=1S/C13H11N3O2S/c1-9(17)6-16-12(7-19-8-14)15-11-5-3-2-4-10(11)13(16)18/h2-5H,6-7H2,1H3