4-cyclopropyl-2-[[(2S)-2-ethylmorpholin-4-ium-4-yl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione

Systemtic Name: 4-cyclopropyl-2-[[(2S)-2-ethylmorpholin-4-ium-4-yl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 4-cyclopropyl-2-[[(2S)-2-ethylmorpholin-4-ium-4-yl]methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-2-[[(2S)-2-ethyl-4-morpholin-4-iumyl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 4-cyclopropyl-2-[[(2S)-2-ethylmorpholin-4-ium-4-yl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 4-cyclopropyl-2-[[(2S)-2-ethylmorpholin-4-ium-4-yl]methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C17H24N5OS+ MolecularWeight: 346.47036

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C[NH+](CCO1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4CC4

Isomeric SMILES

CC[C@H]1C[NH+](CCO1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4CC4

InChI

InChI=1S/C17H23N5OS/c1-2-15-11-20(9-10-23-15)12-21-17(24)22(14-3-4-14)16(19-21)13-5-7-18-8-6-13/h5-8,14-15H,2-4,9-12H2,1H3/p+1/t15-/m0/s1