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

Systemtic Name: (3-butyl-6-methylsulfonyl-4-oxidanylidene-quinazolin-2-yl)methyl thiocyanate Openeye Name: (3-butyl-6-methylsulfonyl-4-oxo-quinazolin-2-yl)methyl thiocyanate CAS Name: thiocyanic acid (3-butyl-6-methylsulfonyl-4-oxo-2-quinazolinyl)methyl ester IUPAC Name: (3-butyl-6-methylsulfonyl-4-oxoquinazolin-2-yl)methyl thiocyanate Traditional Name: thiocyanic acid (3-butyl-4-keto-6-mesyl-quinazolin-2-yl)methyl ester Formula: C15H17N3O3S2 MolecularWeight: 351.44378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C(C1=O)C=C(C=C2)S(=O)(=O)C)CSC#N

Isomeric SMILES

CCCCN1C(=NC2=C(C1=O)C=C(C=C2)S(=O)(=O)C)CSC#N

InChI

InChI=1S/C15H17N3O3S2/c1-3-4-7-18-14(9-22-10-16)17-13-6-5-11(23(2,20)21)8-12(13)15(18)19/h5-6,8H,3-4,7,9H2,1-2H3