2-(8-methyl-2H-1,3-benzothiazin-3-ium-3-yl)benzenecarbonitrile

Systemtic Name: 2-(8-methyl-2H-1,3-benzothiazin-3-ium-3-yl)benzenecarbonitrile Openeye Name: 2-(8-methyl-2H-1,3-benzothiazin-3-ium-3-yl)benzonitrile CAS Name: 2-(8-methyl-2H-1,3-benzothiazin-3-ium-3-yl)benzonitrile IUPAC Name: 2-(8-methyl-2H-1,3-benzothiazin-3-ium-3-yl)benzonitrile Traditional Name: 2-(8-methyl-2H-1,3-benzothiazin-3-ium-3-yl)benzonitrile Formula: C16H13N2S+ MolecularWeight: 265.35282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1SC[N+](=C2)C3=CC=CC=C3C#N

Isomeric SMILES

CC1=CC=CC2=C1SC[N+](=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C16H13N2S/c1-12-5-4-7-14-10-18(11-19-16(12)14)15-8-3-2-6-13(15)9-17/h2-8,10H,11H2,1H3/q+1