2-[(4-methyl-3-oxidanylidene-4H-quinazolin-3-ium-2-yl)methylsulfanyl]ethanol

Systemtic Name: 2-[(4-methyl-3-oxidanylidene-4H-quinazolin-3-ium-2-yl)methylsulfanyl]ethanol Openeye Name: 2-[(4-methyl-3-oxo-4H-quinazolin-3-ium-2-yl)methylsulfanyl]ethanol CAS Name: 2-[(4-methyl-3-oxo-4H-quinazolin-3-ium-2-yl)methylthio]ethanol IUPAC Name: 2-[(4-methyl-3-oxo-4H-quinazolin-3-ium-2-yl)methylsulfanyl]ethanol Traditional Name: 2-[(3-keto-4-methyl-4H-quinazolin-3-ium-2-yl)methylthio]ethanol Formula: C12H15N2O2S+ MolecularWeight: 251.3247

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC=CC=C2N=C([N+]1=O)CSCCO

Isomeric SMILES

CC1C2=CC=CC=C2N=C([N+]1=O)CSCCO

InChI

InChI=1S/C12H15N2O2S/c1-9-10-4-2-3-5-11(10)13-12(14(9)16)8-17-7-6-15/h2-5,9,15H,6-8H2,1H3/q+1