4-methyl-2-(methylsulfanylmethyl)-4H-quinazolin-3-ium 3-oxide

Systemtic Name: 4-methyl-2-(methylsulfanylmethyl)-4H-quinazolin-3-ium 3-oxide Openeye Name: 4-methyl-2-(methylsulfanylmethyl)-4H-quinazolin-3-ium 3-oxide CAS Name: 4-methyl-2-[(methylthio)methyl]-4H-quinazolin-3-ium 3-oxide IUPAC Name: 4-methyl-2-(methylsulfanylmethyl)-4H-quinazolin-3-ium 3-oxide Traditional Name: 4-methyl-2-[(methylthio)methyl]-4H-quinazolin-3-ium 3-oxide Formula: C11H13N2OS+ MolecularWeight: 221.29872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N2OS/c1-8-9-5-3-4-6-10(9)12-11(7-15-2)13(8)14/h3-6,8H,7H2,1-2H3/q+1