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

Systemtic Name: (6-methylsulfonyl-4-oxidanylidene-3-phenyl-quinazolin-2-yl)methyl thiocyanate Openeye Name: (6-methylsulfonyl-4-oxo-3-phenyl-quinazolin-2-yl)methyl thiocyanate CAS Name: thiocyanic acid (6-methylsulfonyl-4-oxo-3-phenyl-2-quinazolinyl)methyl ester IUPAC Name: (6-methylsulfonyl-4-oxo-3-phenylquinazolin-2-yl)methyl thiocyanate Traditional Name: thiocyanic acid (4-keto-6-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)N=C(N(C2=O)C3=CC=CC=C3)CSC#N

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(N(C2=O)C3=CC=CC=C3)CSC#N

InChI

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