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

Systemtic Name: 2-[(4-ethylpiperazin-4-ium-1-yl)methyl]-5-phenyl-1H-1,2,4-triazole-3-thione Openeye Name: 2-[(4-ethylpiperazin-4-ium-1-yl)methyl]-5-phenyl-1H-1,2,4-triazole-3-thione CAS Name: 2-[(4-ethyl-1-piperazin-4-iumyl)methyl]-5-phenyl-1H-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-ethylpiperazin-4-ium-1-yl)methyl]-5-phenyl-1H-1,2,4-triazole-3-thione Traditional Name: 2-[(4-ethylpiperazin-4-ium-1-yl)methyl]-5-phenyl-1H-1,2,4-triazole-3-thione Formula: C15H22N5S+ MolecularWeight: 304.43368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N5S/c1-2-18-8-10-19(11-9-18)12-20-15(21)16-14(17-20)13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H,16,17,21)/p+1