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

Systemtic Name: (3-cyclohexyl-6-methylsulfonyl-4-oxidanylidene-quinazolin-2-yl)methyl thiocyanate Openeye Name: (3-cyclohexyl-6-methylsulfonyl-4-oxo-quinazolin-2-yl)methyl thiocyanate CAS Name: thiocyanic acid (3-cyclohexyl-6-methylsulfonyl-4-oxo-2-quinazolinyl)methyl ester IUPAC Name: (3-cyclohexyl-6-methylsulfonyl-4-oxoquinazolin-2-yl)methyl thiocyanate Traditional Name: thiocyanic acid (3-cyclohexyl-4-keto-6-mesyl-quinazolin-2-yl)methyl ester Formula: C17H19N3O3S2 MolecularWeight: 377.48106

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(N(C2=O)C3CCCCC3)CSC#N

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(N(C2=O)C3CCCCC3)CSC#N

InChI

InChI=1S/C17H19N3O3S2/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/h7-9,12H,2-6,10H2,1H3