4,5-dicyclopropyl-2-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione

Systemtic Name: 4,5-dicyclopropyl-2-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4,5-dicyclopropyl-2-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4,5-dicyclopropyl-2-[[4-(4-ethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4,5-dicyclopropyl-2-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4,5-dicyclopropyl-2-[(4-p-phenetylsulfonylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C21H30N5O3S2+ MolecularWeight: 464.6246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C(=S)N(C(=N3)C4CC4)C5CC5

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C(=S)N(C(=N3)C4CC4)C5CC5

InChI

InChI=1S/C21H29N5O3S2/c1-2-29-18-7-9-19(10-8-18)31(27,28)24-13-11-23(12-14-24)15-25-21(30)26(17-5-6-17)20(22-25)16-3-4-16/h7-10,16-17H,2-6,11-15H2,1H3/p+1