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

Systemtic Name: 2-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-5-(2-thienyl)-1H-1,2,4-triazole-3-thione CAS Name: 2-[[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-5-(2-thienyl)-1H-1,2,4-triazole-3-thione Formula: C18H21ClN5S2+ MolecularWeight: 406.97584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CN3C(=S)N=C(N3)C4=CC=CS4

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CN3C(=S)N=C(N3)C4=CC=CS4

InChI

InChI=1S/C18H20ClN5S2/c1-13-4-5-14(19)11-15(13)23-8-6-22(7-9-23)12-24-18(25)20-17(21-24)16-3-2-10-26-16/h2-5,10-11H,6-9,12H2,1H3,(H,20,21,25)/p+1