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

Systemtic Name: (7-methylsulfonyl-4-oxidanylidene-3-phenyl-quinazolin-2-yl)methyl thiocyanate Openeye Name: (7-methylsulfonyl-4-oxo-3-phenyl-quinazolin-2-yl)methyl thiocyanate CAS Name: thiocyanic acid (7-methylsulfonyl-4-oxo-3-phenyl-2-quinazolinyl)methyl ester IUPAC Name: (7-methylsulfonyl-4-oxo-3-phenylquinazolin-2-yl)methyl thiocyanate Traditional Name: thiocyanic acid (4-keto-7-mesyl-3-phenyl-quinazolin-2-yl)methyl ester Formula: C17H13N3O3S2 MolecularWeight: 371.43342

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)CSC#N)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)CSC#N)C3=CC=CC=C3

InChI

InChI=1S/C17H13N3O3S2/c1-25(22,23)13-7-8-14-15(9-13)19-16(10-24-11-18)20(17(14)21)12-5-3-2-4-6-12/h2-9H,10H2,1H3