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

Systemtic Name: 4-(3-methoxyphenyl)-3-[(2-methylphenoxy)methyl]-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazole Openeye Name: 4-(3-methoxyphenyl)-3-[(2-methylphenoxy)methyl]-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazole CAS Name: 4-(3-methoxyphenyl)-3-[(2-methylphenoxy)methyl]-5-[2-(1-pyrrolidin-1-iumyl)ethylthio]-1,2,4-triazole IUPAC Name: 4-(3-methoxyphenyl)-3-[(2-methylphenoxy)methyl]-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazole Traditional Name: 4-(3-methoxyphenyl)-3-[(2-methylphenoxy)methyl]-5-(2-pyrrolidin-1-ium-1-ylethylthio)-1,2,4-triazole Formula: C23H29N4O2S+ MolecularWeight: 425.56696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC2=NN=C(N2C3=CC(=CC=C3)OC)SCC[NH+]4CCCC4

Isomeric SMILES

CC1=CC=CC=C1OCC2=NN=C(N2C3=CC(=CC=C3)OC)SCC[NH+]4CCCC4

InChI

InChI=1S/C23H28N4O2S/c1-18-8-3-4-11-21(18)29-17-22-24-25-23(30-15-14-26-12-5-6-13-26)27(22)19-9-7-10-20(16-19)28-2/h3-4,7-11,16H,5-6,12-15,17H2,1-2H3/p+1