4-(6-ethylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)butanoic acid; hydron; bromide

Systemtic Name: 4-(6-ethylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)butanoic acid; hydron; bromide Openeye Name: 4-(6-ethylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)butanoic acid; hydron; bromide CAS Name: 4-[6-(ethylthio)-2,4-dihydro-1H-1,3,5-triazin-3-yl]butanoic acid; hydron; bromide IUPAC Name: 4-(6-ethylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)butanoic acid; hydron; bromide Traditional Name: 4-[6-(ethylthio)-2,4-dihydro-1H-s-triazin-3-yl]butyric acid; hydron; bromide Formula: C9H18BrN3O2S MolecularWeight: 312.22712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[H+].CCSC1=NCN(CN1)CCCC(=O)O.[Br-]

Isomeric SMILES

[H+].CCSC1=NCN(CN1)CCCC(=O)O.[Br-]

InChI

InChI=1S/C9H17N3O2S.BrH/c1-2-15-9-10-6-12(7-11-9)5-3-4-8(13)14;/h2-7H2,1H3,(H,10,11)(H,13,14);1H