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

Systemtic Name: 3-(3-methoxyphenyl)-4-methyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazole Openeye Name: 3-(3-methoxyphenyl)-4-methyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazole CAS Name: 3-(3-methoxyphenyl)-4-methyl-5-[2-(1-pyrrolidin-1-iumyl)ethylthio]-1,2,4-triazole IUPAC Name: 3-(3-methoxyphenyl)-4-methyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazole Traditional Name: 3-(3-methoxyphenyl)-4-methyl-5-(2-pyrrolidin-1-ium-1-ylethylthio)-1,2,4-triazole Formula: C16H23N4OS+ MolecularWeight: 319.44502

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC[NH+]2CCCC2)C3=CC(=CC=C3)OC

Isomeric SMILES

CN1C(=NN=C1SCC[NH+]2CCCC2)C3=CC(=CC=C3)OC

InChI

InChI=1S/C16H22N4OS/c1-19-15(13-6-5-7-14(12-13)21-2)17-18-16(19)22-11-10-20-8-3-4-9-20/h5-7,12H,3-4,8-11H2,1-2H3/p+1