2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-1H-quinazolin-4-one

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-1H-quinazolin-4-one Openeye Name: 2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-1H-quinazolin-4-one CAS Name: 2-[(3,3-dimethyl-2-oxobutyl)thio]-1H-quinazolin-4-one IUPAC Name: 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-1H-quinazolin-4-one Traditional Name: 2-[(2-keto-3,3-dimethyl-butyl)thio]-1H-quinazolin-4-one Formula: C14H16N2O2S MolecularWeight: 276.35404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC(=O)C2=CC=CC=C2N1

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC(=O)C2=CC=CC=C2N1

InChI

InChI=1S/C14H16N2O2S/c1-14(2,3)11(17)8-19-13-15-10-7-5-4-6-9(10)12(18)16-13/h4-7H,8H2,1-3H3,(H,15,16,18)