2-(5-dodecyl-2-phenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium-3-yl)-1,3-benzothiazole

Systemtic Name: 2-(5-dodecyl-2-phenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium-3-yl)-1,3-benzothiazole Openeye Name: 2-(5-dodecyl-2-phenyl-1,3-dihydrotetrazol-3-ium-3-yl)-1,3-benzothiazole CAS Name: 2-(5-dodecyl-2-phenyl-1,3-dihydrotetrazol-3-ium-3-yl)-1,3-benzothiazole IUPAC Name: 2-(5-dodecyl-2-phenyl-1,3-dihydrotetrazol-3-ium-3-yl)-1,3-benzothiazole Traditional Name: 2-(5-lauryl-2-phenyl-1,3-dihydrotetrazol-3-ium-3-yl)-1,3-benzothiazole Formula: C26H36N5S+ MolecularWeight: 450.66254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=N[NH+](N(N1)C2=CC=CC=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCCCCCCCCCCC1=N[NH+](N(N1)C2=CC=CC=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C26H35N5S/c1-2-3-4-5-6-7-8-9-10-14-21-25-28-30(22-17-12-11-13-18-22)31(29-25)26-27-23-19-15-16-20-24(23)32-26/h11-13,15-20H,2-10,14,21H2,1H3,(H,28,29)/p+1