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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=CS2)C3=C(NC(=[N+]3C4=CC=CC=C4)S)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=CS2)C3=C(NC(=[N+]3C4=CC=CC=C4)S)C

InChI

InChI=1S/C20H19N3OS2/c1-3-24-15-9-10-16-18(11-15)26-12-17(22-16)19-13(2)21-20(25)23(19)14-7-5-4-6-8-14/h4-12,22H,3H2,1-2H3,(H,21,25)/p+1