4-ethyl-3-(naphthalen-1-yloxymethyl)-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazole

Systemtic Name: 4-ethyl-3-(naphthalen-1-yloxymethyl)-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazole Openeye Name: 4-ethyl-3-(1-naphthyloxymethyl)-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazole CAS Name: 4-ethyl-3-(1-naphthalenyloxymethyl)-5-[2-(1-pyrrolidin-1-iumyl)ethylthio]-1,2,4-triazole IUPAC Name: 4-ethyl-3-(naphthalen-1-yloxymethyl)-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazole Traditional Name: 4-ethyl-3-(1-naphthoxymethyl)-5-(2-pyrrolidin-1-ium-1-ylethylthio)-1,2,4-triazole Formula: C21H27N4OS+ MolecularWeight: 383.53028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC[NH+]2CCCC2)COC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCN1C(=NN=C1SCC[NH+]2CCCC2)COC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H26N4OS/c1-2-25-20(22-23-21(25)27-15-14-24-12-5-6-13-24)16-26-19-11-7-9-17-8-3-4-10-18(17)19/h3-4,7-11H,2,5-6,12-16H2,1H3/p+1