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

Systemtic Name: 4-ethyl-3-(naphthalen-2-yloxymethyl)-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazole Openeye Name: 4-ethyl-3-(2-naphthyloxymethyl)-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazole CAS Name: 4-ethyl-3-(2-naphthalenyloxymethyl)-5-[2-(1-pyrrolidin-1-iumyl)ethylthio]-1,2,4-triazole IUPAC Name: 4-ethyl-3-(naphthalen-2-yloxymethyl)-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazole Traditional Name: 4-ethyl-3-(2-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=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCN1C(=NN=C1SCC[NH+]2CCCC2)COC3=CC4=CC=CC=C4C=C3

InChI

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