N-tert-butyl-2-[4-[(3-sulfanylidene-5-thiophen-2-yl-1H-1,2,4-triazol-2-yl)methyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[(3-sulfanylidene-5-thiophen-2-yl-1H-1,2,4-triazol-2-yl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[[5-(2-thienyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[(3-sulfanylidene-5-thiophen-2-yl-1H-1,2,4-triazol-2-yl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[(3-sulfanylidene-5-thiophen-2-yl-1H-1,2,4-triazol-2-yl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[[5-(2-thienyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]piperazine-1,4-diium-1-yl]acetamide Formula: C17H28N6OS2+2 MolecularWeight: 396.57382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CC[NH+](CC1)CN2C(=S)N=C(N2)C3=CC=CS3

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CC[NH+](CC1)CN2C(=S)N=C(N2)C3=CC=CS3

InChI

InChI=1S/C17H26N6OS2/c1-17(2,3)19-14(24)11-21-6-8-22(9-7-21)12-23-16(25)18-15(20-23)13-5-4-10-26-13/h4-5,10H,6-9,11-12H2,1-3H3,(H,19,24)(H,18,20,25)/p+2