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

Systemtic Name: 2-[[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-cyclopropyl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]methyl]-4-cyclopropyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]methyl]-4-cyclopropyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-cyclopropyl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]methyl]-4-cyclopropyl-1,2,4-triazole-3-thione Formula: C14H19BrN5O2S3+ MolecularWeight: 465.43196

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=NN(C2=S)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(S4)Br

Isomeric SMILES

C1CC1N2C=NN(C2=S)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(S4)Br

InChI

InChI=1S/C14H18BrN5O2S3/c15-12-3-4-13(24-12)25(21,22)18-7-5-17(6-8-18)10-20-14(23)19(9-16-20)11-1-2-11/h3-4,9,11H,1-2,5-8,10H2/p+1