4-[(5-tert-butyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]-N,N-diethyl-piperazin-4-ium-1-sulfonamide

Systemtic Name: 4-[(5-tert-butyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]-N,N-diethyl-piperazin-4-ium-1-sulfonamide Openeye Name: 4-[(5-tert-butyl-3-thioxo-1H-1,2,4-triazol-2-yl)methyl]-N,N-diethyl-piperazin-4-ium-1-sulfonamide CAS Name: 4-[(5-tert-butyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]-N,N-diethyl-1-piperazin-4-iumsulfonamide IUPAC Name: 4-[(5-tert-butyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]-N,N-diethylpiperazin-4-ium-1-sulfonamide Traditional Name: 4-[(5-tert-butyl-3-thioxo-1H-1,2,4-triazol-2-yl)methyl]-N,N-diethyl-piperazin-4-ium-1-sulfonamide Formula: C15H31N6O2S2+ MolecularWeight: 391.57564

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)N1CC[NH+](CC1)CN2C(=S)N=C(N2)C(C)(C)C

Isomeric SMILES

CCN(CC)S(=O)(=O)N1CC[NH+](CC1)CN2C(=S)N=C(N2)C(C)(C)C

InChI

InChI=1S/C15H30N6O2S2/c1-6-19(7-2)25(22,23)20-10-8-18(9-11-20)12-21-14(24)16-13(17-21)15(3,4)5/h6-12H2,1-5H3,(H,16,17,24)/p+1