2-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione

Systemtic Name: 2-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[(4-ethyl-1-piperazine-1,4-diiumyl)methyl]-4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C17H28N6OS+2 MolecularWeight: 364.50882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N6OS/c1-3-20-8-10-21(11-9-20)14-23-17(25)22(12-13-24-2)16(19-23)15-4-6-18-7-5-15/h4-7H,3,8-14H2,1-2H3/p+2