1-tert-butyl-1-methyl-2H-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-2-ium

Systemtic Name: 1-tert-butyl-1-methyl-2H-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-2-ium Openeye Name: 1-tert-butyl-1-methyl-2H-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-2-ium CAS Name: 1-tert-butyl-1-methyl-2H-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-2-ium IUPAC Name: 1-tert-butyl-1-methyl-2H-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-2-ium Traditional Name: 1-tert-butyl-1-methyl-2H-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-2-ium Formula: C13H18N3S+ MolecularWeight: 248.36712

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Descriptors Computed from Structure

Canonical SMILES:

CC1([NH2+]N=C2N1C3=CC=CC=C3S2)C(C)(C)C

Isomeric SMILES

CC1([NH2+]N=C2N1C3=CC=CC=C3S2)C(C)(C)C

InChI

InChI=1S/C13H17N3S/c1-12(2,3)13(4)15-14-11-16(13)9-7-5-6-8-10(9)17-11/h5-8,15H,1-4H3/p+1