2-[2-[(4-azanyl-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]ethyl-diethyl-azanium

Systemtic Name: 2-[2-[(4-azanyl-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]ethyl-diethyl-azanium Openeye Name: 2-[[2-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[2-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[2-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]ethyl-diethylazanium Traditional Name: 2-[[2-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)thio]acetyl]amino]ethyl-diethyl-ammonium Formula: C12H25N6OS+ MolecularWeight: 301.4315

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1N)SCC(=O)NCC[NH+](CC)CC

Isomeric SMILES

CCC1=NN=C(N1N)SCC(=O)NCC[NH+](CC)CC

InChI

InChI=1S/C12H24N6OS/c1-4-10-15-16-12(18(10)13)20-9-11(19)14-7-8-17(5-2)6-3/h4-9,13H2,1-3H3,(H,14,19)/p+1