4-methyl-2-[(3-methylphenyl)sulfanylmethyl]-4H-quinazolin-3-ium 3-oxide

Systemtic Name: 4-methyl-2-[(3-methylphenyl)sulfanylmethyl]-4H-quinazolin-3-ium 3-oxide Openeye Name: 4-methyl-2-(m-tolylsulfanylmethyl)-4H-quinazolin-3-ium 3-oxide CAS Name: 4-methyl-2-[[(3-methylphenyl)thio]methyl]-4H-quinazolin-3-ium 3-oxide IUPAC Name: 4-methyl-2-[(3-methylphenyl)sulfanylmethyl]-4H-quinazolin-3-ium 3-oxide Traditional Name: 4-methyl-2-[(m-tolylthio)methyl]-4H-quinazolin-3-ium 3-oxide Formula: C17H17N2OS+ MolecularWeight: 297.39468

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC=CC=C2N=C([N+]1=O)CSC3=CC=CC(=C3)C

Isomeric SMILES

CC1C2=CC=CC=C2N=C([N+]1=O)CSC3=CC=CC(=C3)C

InChI

InChI=1S/C17H17N2OS/c1-12-6-5-7-14(10-12)21-11-17-18-16-9-4-3-8-15(16)13(2)19(17)20/h3-10,13H,11H2,1-2H3/q+1