2-(3-oxidanylidenepentan-2-ylsulfanyl)-1H-quinazolin-4-one

Systemtic Name: 2-(3-oxidanylidenepentan-2-ylsulfanyl)-1H-quinazolin-4-one Openeye Name: 2-(1-methyl-2-oxo-butyl)sulfanyl-1H-quinazolin-4-one CAS Name: 2-(3-oxopentan-2-ylthio)-1H-quinazolin-4-one IUPAC Name: 2-(3-oxopentan-2-ylsulfanyl)-1H-quinazolin-4-one Traditional Name: 2-[(2-keto-1-methyl-butyl)thio]-1H-quinazolin-4-one Formula: C13H14N2O2S MolecularWeight: 262.32746

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C)SC1=NC(=O)C2=CC=CC=C2N1

Isomeric SMILES

CCC(=O)C(C)SC1=NC(=O)C2=CC=CC=C2N1

InChI

InChI=1S/C13H14N2O2S/c1-3-11(16)8(2)18-13-14-10-7-5-4-6-9(10)12(17)15-13/h4-8H,3H2,1-2H3,(H,14,15,17)