4-ethyl-2-[(4-ethylpiperazin-4-ium-1-yl)methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione

Systemtic Name: 4-ethyl-2-[(4-ethylpiperazin-4-ium-1-yl)methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 4-ethyl-2-[(4-ethylpiperazin-4-ium-1-yl)methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-ethyl-2-[(4-ethyl-1-piperazin-4-iumyl)methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 4-ethyl-2-[(4-ethylpiperazin-4-ium-1-yl)methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 4-ethyl-2-[(4-ethylpiperazin-4-ium-1-yl)methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C16H25N6S+ MolecularWeight: 333.4749

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)CC

Isomeric SMILES

CC[NH+]1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)CC

InChI

InChI=1S/C16H24N6S/c1-3-19-9-11-20(12-10-19)13-22-16(23)21(4-2)15(18-22)14-5-7-17-8-6-14/h5-8H,3-4,9-13H2,1-2H3/p+1