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

Systemtic Name: 2-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]methyl]-5-methyl-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-2-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-1,2,4-triazole-3-thione Formula: C18H25ClN5S+ MolecularWeight: 378.9426

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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)C)CC=C

Isomeric SMILES

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

InChI

InChI=1S/C18H24ClN5S/c1-4-7-23-15(3)20-24(18(23)25)13-21-8-10-22(11-9-21)17-12-16(19)6-5-14(17)2/h4-6,12H,1,7-11,13H2,2-3H3/p+1