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

Systemtic Name: 2-[[4-(3-methylbutyl)piperazin-4-ium-1-yl]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione Openeye Name: 2-[(4-isopentylpiperazin-4-ium-1-yl)methyl]-5-phenyl-1H-1,2,4-triazole-3-thione CAS Name: 2-[[4-(3-methylbutyl)-1-piperazin-4-iumyl]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(3-methylbutyl)piperazin-4-ium-1-yl]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione Traditional Name: 2-[(4-isoamylpiperazin-4-ium-1-yl)methyl]-5-phenyl-1H-1,2,4-triazole-3-thione Formula: C18H28N5S+ MolecularWeight: 346.51342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N5S/c1-15(2)8-9-21-10-12-22(13-11-21)14-23-18(24)19-17(20-23)16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3,(H,19,20,24)/p+1