3-[(4-chloranylphenoxy)methyl]-4-ethyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-[(4-chloranylphenoxy)methyl]-4-ethyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazole Openeye Name: 3-[(4-chlorophenoxy)methyl]-4-ethyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazole CAS Name: 3-[(4-chlorophenoxy)methyl]-4-ethyl-5-[2-(1-pyrrolidin-1-iumyl)ethylthio]-1,2,4-triazole IUPAC Name: 3-[(4-chlorophenoxy)methyl]-4-ethyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazole Traditional Name: 3-[(4-chlorophenoxy)methyl]-4-ethyl-5-(2-pyrrolidin-1-ium-1-ylethylthio)-1,2,4-triazole Formula: C17H24ClN4OS+ MolecularWeight: 367.91666

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC[NH+]2CCCC2)COC3=CC=C(C=C3)Cl

Isomeric SMILES

CCN1C(=NN=C1SCC[NH+]2CCCC2)COC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H23ClN4OS/c1-2-22-16(13-23-15-7-5-14(18)6-8-15)19-20-17(22)24-12-11-21-9-3-4-10-21/h5-8H,2-4,9-13H2,1H3/p+1