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

Systemtic Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-5-methyl-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-1,2,4-triazole-3-thione Formula: C17H23ClN5S+ MolecularWeight: 364.91602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1CC=C)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=NN(C(=S)N1CC=C)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H22ClN5S/c1-3-7-22-14(2)19-23(17(22)24)13-20-8-10-21(11-9-20)16-6-4-5-15(18)12-16/h3-6,12H,1,7-11,13H2,2H3/p+1