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

Systemtic Name: 2-[2-[(4-azanyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]ethyl-diethyl-azanium Openeye Name: 2-[[2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]ethyl-diethylazanium Traditional Name: 2-[[2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)thio]acetyl]amino]ethyl-diethyl-ammonium Formula: C13H27N6OS+ MolecularWeight: 315.45808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1N)SCC(=O)NCC[NH+](CC)CC

Isomeric SMILES

CCCC1=NN=C(N1N)SCC(=O)NCC[NH+](CC)CC

InChI

InChI=1S/C13H26N6OS/c1-4-7-11-16-17-13(19(11)14)21-10-12(20)15-8-9-18(5-2)6-3/h4-10,14H2,1-3H3,(H,15,20)/p+1