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

Systemtic Name: 4-methyl-2-(phenylsulfanylmethyl)-4H-quinazolin-3-ium 3-oxide Openeye Name: 4-methyl-2-(phenylsulfanylmethyl)-4H-quinazolin-3-ium 3-oxide CAS Name: 4-methyl-2-[(phenylthio)methyl]-4H-quinazolin-3-ium 3-oxide IUPAC Name: 4-methyl-2-(phenylsulfanylmethyl)-4H-quinazolin-3-ium 3-oxide Traditional Name: 4-methyl-2-[(phenylthio)methyl]-4H-quinazolin-3-ium 3-oxide Formula: C16H15N2OS+ MolecularWeight: 283.3681

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N2OS/c1-12-14-9-5-6-10-15(14)17-16(18(12)19)11-20-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3/q+1