5-cyclopropyl-4-[2-[di(propan-2-yl)azaniumyl]ethyl]-1,2,4-triazole-3-thiolate

Systemtic Name: 5-cyclopropyl-4-[2-[di(propan-2-yl)azaniumyl]ethyl]-1,2,4-triazole-3-thiolate Openeye Name: 5-cyclopropyl-4-[2-(diisopropylammonio)ethyl]-1,2,4-triazole-3-thiolate CAS Name: 5-cyclopropyl-4-[2-[di(propan-2-yl)ammonio]ethyl]-1,2,4-triazole-3-thiolate IUPAC Name: 5-cyclopropyl-4-[2-[di(propan-2-yl)azaniumyl]ethyl]-1,2,4-triazole-3-thiolate Traditional Name: 5-cyclopropyl-4-[2-(diisopropylammonio)ethyl]-1,2,4-triazole-3-thiolate Formula: C13H24N4S MolecularWeight: 268.42146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCN1C(=NN=C1[S-])C2CC2)C(C)C

Isomeric SMILES

CC(C)[NH+](CCN1C(=NN=C1[S-])C2CC2)C(C)C

InChI

InChI=1S/C13H24N4S/c1-9(2)16(10(3)4)7-8-17-12(11-5-6-11)14-15-13(17)18/h9-11H,5-8H2,1-4H3,(H,15,18)