3-(4-methoxyphenyl)-5-methyl-4-(7-methyl-4H-1,4-benzothiazin-3-yl)-1H-imidazol-3-ium-2-thiol

Systemtic Name: 3-(4-methoxyphenyl)-5-methyl-4-(7-methyl-4H-1,4-benzothiazin-3-yl)-1H-imidazol-3-ium-2-thiol Openeye Name: 3-(4-methoxyphenyl)-5-methyl-4-(7-methyl-4H-1,4-benzothiazin-3-yl)-1H-imidazol-3-ium-2-thiol CAS Name: 3-(4-methoxyphenyl)-5-methyl-4-(7-methyl-4H-1,4-benzothiazin-3-yl)-1H-imidazol-3-ium-2-thiol IUPAC Name: 3-(4-methoxyphenyl)-5-methyl-4-(7-methyl-4H-1,4-benzothiazin-3-yl)-1H-imidazol-3-ium-2-thiol Traditional Name: 3-(4-methoxyphenyl)-5-methyl-4-(7-methyl-4H-1,4-benzothiazin-3-yl)-1H-imidazol-3-ium-2-thiol Formula: C20H20N3OS2+ MolecularWeight: 382.5223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=CS2)C3=C(NC(=[N+]3C4=CC=C(C=C4)OC)S)C

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=CS2)C3=C(NC(=[N+]3C4=CC=C(C=C4)OC)S)C

InChI

InChI=1S/C20H19N3OS2/c1-12-4-9-16-18(10-12)26-11-17(22-16)19-13(2)21-20(25)23(19)14-5-7-15(24-3)8-6-14/h4-11,22H,1-3H3,(H,21,25)/p+1