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

Systemtic Name: S-decyl 1-(1,3-thiazol-4-yl)benzimidazol-1-ium-1-carbothioate Openeye Name: S-decyl 1-thiazol-4-ylbenzimidazol-1-ium-1-carbothioate CAS Name: 1-(4-thiazolyl)-1-benzimidazol-1-iumcarbothioic acid S-decyl ester IUPAC Name: S-decyl 1-(1,3-thiazol-4-yl)benzimidazol-1-ium-1-carbothioate Traditional Name: 1-thiazol-4-ylbenzimidazol-1-ium-1-carbothioic acid S-decyl ester Formula: C21H28N3OS2+ MolecularWeight: 402.59652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N3OS2/c1-2-3-4-5-6-7-8-11-14-27-21(25)24(20-15-26-17-23-20)16-22-18-12-9-10-13-19(18)24/h9-10,12-13,15-17H,2-8,11,14H2,1H3/q+1