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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=CC=C3Cl)C4CC4

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=CC=C3Cl)C4CC4

InChI

InChI=1S/C17H22ClN5S/c1-20-16(13-6-7-13)19-23(17(20)24)12-21-8-10-22(11-9-21)15-5-3-2-4-14(15)18/h2-5,13H,6-12H2,1H3/p+1