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

Systemtic Name: 5-cyclopropyl-2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-ethyl-1,2,4-triazole-3-thione Openeye Name: 5-cyclopropyl-2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-ethyl-1,2,4-triazole-3-thione CAS Name: 5-cyclopropyl-2-[[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]methyl]-4-ethyl-1,2,4-triazole-3-thione IUPAC Name: 5-cyclopropyl-2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-ethyl-1,2,4-triazole-3-thione Traditional Name: 5-cyclopropyl-4-ethyl-2-[(4-o-phenetylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C20H30N5OS+ MolecularWeight: 388.5501

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=CC=C3OCC)C4CC4

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=CC=C3OCC)C4CC4

InChI

InChI=1S/C20H29N5OS/c1-3-24-19(16-9-10-16)21-25(20(24)27)15-22-11-13-23(14-12-22)17-7-5-6-8-18(17)26-4-2/h5-8,16H,3-4,9-15H2,1-2H3/p+1