(3-methyl-7-methylsulfonyl-4-oxidanylidene-quinazolin-2-yl)methyl thiocyanate

Systemtic Name: (3-methyl-7-methylsulfonyl-4-oxidanylidene-quinazolin-2-yl)methyl thiocyanate Openeye Name: (3-methyl-7-methylsulfonyl-4-oxo-quinazolin-2-yl)methyl thiocyanate CAS Name: thiocyanic acid (3-methyl-7-methylsulfonyl-4-oxo-2-quinazolinyl)methyl ester IUPAC Name: (3-methyl-7-methylsulfonyl-4-oxoquinazolin-2-yl)methyl thiocyanate Traditional Name: thiocyanic acid (4-keto-7-mesyl-3-methyl-quinazolin-2-yl)methyl ester Formula: C12H11N3O3S2 MolecularWeight: 309.36404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O3S2/c1-15-11(6-19-7-13)14-10-5-8(20(2,17)18)3-4-9(10)12(15)16/h3-5H,6H2,1-2H3