2-(1,3-benzothiazol-2-yl)-2-ethyl-butanebis(thioate); methylazanium

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-ethyl-butanebis(thioate); methylazanium Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-ethyl-butanebis(thioate); methylammonium CAS Name: 2-(1,3-benzothiazol-2-yl)-2-ethylbutanebis(thioate); methylammonium IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-ethylbutanebis(thioate); methylazanium Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-ethyl-butanebis(thioate); methylammonium Formula: C15H23N3O2S3 MolecularWeight: 373.55702

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=S)[O-])(C1=NC2=CC=CC=C2S1)C(=S)[O-].C[NH3+].C[NH3+]

Isomeric SMILES

CCC(CC(=S)[O-])(C1=NC2=CC=CC=C2S1)C(=S)[O-].C[NH3+].C[NH3+]

InChI

InChI=1S/C13H13NO2S3.2CH5N/c1-2-13(12(16)18,7-10(15)17)11-14-8-5-3-4-6-9(8)19-11;2*1-2/h3-6H,2,7H2,1H3,(H,15,17)(H,16,18);2*2H2,1H3