4-ethyl-1,5-dimethyl-1,2,4-triazolidin-4-ium-3-thiolate

Systemtic Name: 4-ethyl-1,5-dimethyl-1,2,4-triazolidin-4-ium-3-thiolate Openeye Name: 4-ethyl-1,5-dimethyl-1,2,4-triazolidin-4-ium-3-thiolate CAS Name: 4-ethyl-1,5-dimethyl-1,2,4-triazolidin-4-ium-3-thiolate IUPAC Name: 4-ethyl-1,5-dimethyl-1,2,4-triazolidin-4-ium-3-thiolate Traditional Name: 4-ethyl-1,5-dimethyl-1,2,4-triazolidin-4-ium-3-thiolate Formula: C6H15N3S MolecularWeight: 161.2684

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1C(N(NC1[S-])C)C

Isomeric SMILES

CC[NH+]1C(N(NC1[S-])C)C

InChI

InChI=1S/C6H15N3S/c1-4-9-5(2)8(3)7-6(9)10/h5-7,10H,4H2,1-3H3