3,5-ditert-butyl-5-[2-(2-methoxyethoxymethoxy)phenyl]-4-sulfanylidene-3H-1,2,4-triazol-4-ium

Systemtic Name: 3,5-ditert-butyl-5-[2-(2-methoxyethoxymethoxy)phenyl]-4-sulfanylidene-3H-1,2,4-triazol-4-ium Openeye Name: 3,5-ditert-butyl-5-[2-(2-methoxyethoxymethoxy)phenyl]-4-thioxo-3H-1,2,4-triazol-4-ium CAS Name: 3,5-ditert-butyl-5-[2-(2-methoxyethoxymethoxy)phenyl]-4-sulfanylidene-3H-1,2,4-triazol-4-ium IUPAC Name: 3,5-ditert-butyl-5-[2-(2-methoxyethoxymethoxy)phenyl]-4-sulfanylidene-3H-1,2,4-triazol-4-ium Traditional Name: 3,5-ditert-butyl-5-[2-(2-methoxyethoxymethoxy)phenyl]-4-thioxo-3H-1,2,4-triazol-4-ium Formula: C20H32N3O3S+ MolecularWeight: 394.55138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1N=NC([N+]1=S)(C2=CC=CC=C2OCOCCOC)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1N=NC([N+]1=S)(C2=CC=CC=C2OCOCCOC)C(C)(C)C

InChI

InChI=1S/C20H32N3O3S/c1-18(2,3)17-21-22-20(23(17)27,19(4,5)6)15-10-8-9-11-16(15)26-14-25-13-12-24-7/h8-11,17H,12-14H2,1-7H3/q+1