2-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methyl-4H-quinazolin-3-ium 3-oxide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methyl-4H-quinazolin-3-ium 3-oxide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methyl-4H-quinazolin-3-ium 3-oxide CAS Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-4-methyl-4H-quinazolin-3-ium 3-oxide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methyl-4H-quinazolin-3-ium 3-oxide Traditional Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-4-methyl-4H-quinazolin-3-ium 3-oxide Formula: C17H14N3OS2+ MolecularWeight: 340.44256

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC=CC=C2N=C([N+]1=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1C2=CC=CC=C2N=C([N+]1=O)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H14N3OS2/c1-11-12-6-2-3-7-13(12)18-16(20(11)21)10-22-17-19-14-8-4-5-9-15(14)23-17/h2-9,11H,10H2,1H3/q+1