4-dodecyl-1,5-dimethyl-1,2,4-triazol-4-ium-3-thiolate

Systemtic Name: 4-dodecyl-1,5-dimethyl-1,2,4-triazol-4-ium-3-thiolate Openeye Name: 4-dodecyl-1,5-dimethyl-1,2,4-triazol-4-ium-3-thiolate CAS Name: 4-dodecyl-1,5-dimethyl-1,2,4-triazol-4-ium-3-thiolate IUPAC Name: 4-dodecyl-1,5-dimethyl-1,2,4-triazol-4-ium-3-thiolate Traditional Name: 4-lauryl-1,5-dimethyl-1,2,4-triazol-4-ium-3-thiolate Formula: C16H31N3S MolecularWeight: 297.50244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+]1=C(N(N=C1[S-])C)C

Isomeric SMILES

CCCCCCCCCCCC[N+]1=C(N(N=C1[S-])C)C

InChI

InChI=1S/C16H31N3S/c1-4-5-6-7-8-9-10-11-12-13-14-19-15(2)18(3)17-16(19)20/h4-14H2,1-3H3