S-octyl 1-(1,3-thiazol-4-yl)benzimidazol-1-ium-1-carbothioate

Systemtic Name: S-octyl 1-(1,3-thiazol-4-yl)benzimidazol-1-ium-1-carbothioate Openeye Name: S-octyl 1-thiazol-4-ylbenzimidazol-1-ium-1-carbothioate CAS Name: 1-(4-thiazolyl)-1-benzimidazol-1-iumcarbothioic acid S-octyl ester IUPAC Name: S-octyl 1-(1,3-thiazol-4-yl)benzimidazol-1-ium-1-carbothioate Traditional Name: 1-thiazol-4-ylbenzimidazol-1-ium-1-carbothioic acid S-octyl ester Formula: C19H24N3OS2+ MolecularWeight: 374.54336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC(=O)[N+]1(C=NC2=CC=CC=C21)C3=CSC=N3

Isomeric SMILES

CCCCCCCCSC(=O)[N+]1(C=NC2=CC=CC=C21)C3=CSC=N3

InChI

InChI=1S/C19H24N3OS2/c1-2-3-4-5-6-9-12-25-19(23)22(18-13-24-15-21-18)14-20-16-10-7-8-11-17(16)22/h7-8,10-11,13-15H,2-6,9,12H2,1H3/q+1