(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl thiocyanate

Systemtic Name: (3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl thiocyanate Openeye Name: (3-methyl-4-oxo-quinazolin-2-yl)sulfanylmethyl thiocyanate CAS Name: thiocyanic acid [(3-methyl-4-oxo-2-quinazolinyl)thio]methyl ester IUPAC Name: (3-methyl-4-oxoquinazolin-2-yl)sulfanylmethyl thiocyanate Traditional Name: thiocyanic acid [(4-keto-3-methyl-quinazolin-2-yl)thio]methyl ester Formula: C11H9N3OS2 MolecularWeight: 263.33866

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2N=C1SCSC#N

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2N=C1SCSC#N

InChI

InChI=1S/C11H9N3OS2/c1-14-10(15)8-4-2-3-5-9(8)13-11(14)17-7-16-6-12/h2-5H,7H2,1H3