(1,3-dimethylbenzimidazol-2-ylidene)methyl-(3-methyl-2H-1,3-benzothiazol-1-ium-2-yl)diazene ethanoate

Systemtic Name: (1,3-dimethylbenzimidazol-2-ylidene)methyl-(3-methyl-2H-1,3-benzothiazol-1-ium-2-yl)diazene ethanoate Openeye Name: (1,3-dimethylbenzimidazol-2-ylidene)methyl-(3-methyl-2H-1,3-benzothiazol-1-ium-2-yl)diazene acetate CAS Name: (1,3-dimethyl-2-benzimidazolylidene)methyl-(3-methyl-2H-1,3-benzothiazol-1-ium-2-yl)diazene acetate IUPAC Name: (1,3-dimethylbenzimidazol-2-ylidene)methyl-(3-methyl-2H-1,3-benzothiazol-1-ium-2-yl)diazene acetate Traditional Name: (1,3-dimethylbenzimidazol-2-ylidene)methyl-(3-methyl-2H-1,3-benzothiazol-1-ium-2-yl)diazene acetate Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CN1C([SH+]C2=CC=CC=C21)N=NC=C3N(C4=CC=CC=C4N3C)C

Isomeric SMILES

CC(=O)[O-].CN1C([SH+]C2=CC=CC=C21)N=NC=C3N(C4=CC=CC=C4N3C)C

InChI

InChI=1S/C18H19N5S.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/h4-12,18H,1-3H3;1H3,(H,3,4)