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

Systemtic Name: 2-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-5-cyclopropyl-4-ethyl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-5-cyclopropyl-4-ethyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]methyl]-5-cyclopropyl-4-ethyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]methyl]-5-cyclopropyl-4-ethyl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-5-cyclopropyl-4-ethyl-1,2,4-triazole-3-thione Formula: C19H27ClN5S+ MolecularWeight: 392.96918

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=C(C=CC(=C3)Cl)C)C4CC4

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=C(C=CC(=C3)Cl)C)C4CC4

InChI

InChI=1S/C19H26ClN5S/c1-3-24-18(15-5-6-15)21-25(19(24)26)13-22-8-10-23(11-9-22)17-12-16(20)7-4-14(17)2/h4,7,12,15H,3,5-6,8-11,13H2,1-2H3/p+1