Benzothiazolium, 2-[[(1,3-dihydro-1,3-dimethyl-2H-benzimidazol-2-ylidene)methyl]azo]-3-methyl-, acetate

84788-02-3

CAS Name

Benzothiazolium, 2-[2-[(1,3-dihydro-1,3-dimethyl-2H-benzimidazol-2-ylidene)methyl]diazenyl]-3-methyl-, acetate (1:1)

Molecular Formula

C₁₈H₁₈N₅S.C₂H₃O₂

Other Names and Identifiers

InChI

InChI=1S/C18H18N5S.C2H4O2/c1-21-13-8-4-5-9-14(13)22(2)17(21)12-19-20-18-23(3)15-10-6-7-11-16(15)24-18;1-2(3)4/h4-12H,1-3H3;1H3,(H,3,4)/q+1;/p-1

InChIKey

InChIKey=OWCGXKHEAXZCBC-UHFFFAOYSA-M

SMILES

CN1C=2C(N(C)C1=CN=NC=3SC=4C([N+]3C)=CC=CC4)=CC=CC2.C(C)([O-])=O

Canonical SMILES

O=C([O-])C.N(=NC=1SC=2C=CC=CC2[N+]1C)C=C3N(C=4C=CC=CC4N3C)C

Other Names for this Substance