4-dodecyl-2,3-dimethyl-1H-1,2,4-triazol-4-ium-5-thione

Systemtic Name: 4-dodecyl-2,3-dimethyl-1H-1,2,4-triazol-4-ium-5-thione Openeye Name: 4-dodecyl-2,3-dimethyl-1H-1,2,4-triazol-4-ium-5-thione CAS Name: 4-dodecyl-2,3-dimethyl-1H-1,2,4-triazol-4-ium-5-thione IUPAC Name: 4-dodecyl-2,3-dimethyl-1H-1,2,4-triazol-4-ium-5-thione Traditional Name: 4-lauryl-2,3-dimethyl-1H-1,2,4-triazol-4-ium-5-thione Formula: C16H32N3S+ MolecularWeight: 298.51038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+]1=C(N(NC1=S)C)C

Isomeric SMILES

CCCCCCCCCCCC[N+]1=C(N(NC1=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/p+1