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

Systemtic Name: 3-[(3-methylphenoxy)methyl]-4-phenethyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazole Openeye Name: 3-[(3-methylphenoxy)methyl]-4-phenethyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazole CAS Name: 3-[(3-methylphenoxy)methyl]-4-phenethyl-5-[2-(1-pyrrolidin-1-iumyl)ethylthio]-1,2,4-triazole IUPAC Name: 3-[(3-methylphenoxy)methyl]-4-phenethyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazole Traditional Name: 3-[(3-methylphenoxy)methyl]-4-phenethyl-5-(2-pyrrolidin-1-ium-1-ylethylthio)-1,2,4-triazole Formula: C24H31N4OS+ MolecularWeight: 423.59414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC2=NN=C(N2CCC3=CC=CC=C3)SCC[NH+]4CCCC4

Isomeric SMILES

CC1=CC(=CC=C1)OCC2=NN=C(N2CCC3=CC=CC=C3)SCC[NH+]4CCCC4

InChI

InChI=1S/C24H30N4OS/c1-20-8-7-11-22(18-20)29-19-23-25-26-24(30-17-16-27-13-5-6-14-27)28(23)15-12-21-9-3-2-4-10-21/h2-4,7-11,18H,5-6,12-17,19H2,1H3/p+1