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

Systemtic Name: 5-cyclopropyl-4-methyl-2-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 5-cyclopropyl-4-methyl-2-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 5-cyclopropyl-4-methyl-2-[(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-cyclopropyl-4-methyl-2-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 5-cyclopropyl-4-methyl-2-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C15H22N5O2S3+ MolecularWeight: 400.56248

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3)C4CC4

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3)C4CC4

InChI

InChI=1S/C15H21N5O2S3/c1-17-14(12-4-5-12)16-20(15(17)23)11-18-6-8-19(9-7-18)25(21,22)13-3-2-10-24-13/h2-3,10,12H,4-9,11H2,1H3/p+1