4-ethyl-2-[[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-5-phenyl-1,2,4-triazole-3-thione

Systemtic Name: 4-ethyl-2-[[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-5-phenyl-1,2,4-triazole-3-thione Openeye Name: 4-ethyl-2-[[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-5-phenyl-1,2,4-triazole-3-thione CAS Name: 4-ethyl-2-[[(2S)-2-(4-methoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]-5-phenyl-1,2,4-triazole-3-thione IUPAC Name: 4-ethyl-2-[[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-5-phenyl-1,2,4-triazole-3-thione Traditional Name: 4-ethyl-2-[[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-5-phenyl-1,2,4-triazole-3-thione Formula: C22H27N4OS+ MolecularWeight: 395.54098

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+]2CCCC2C3=CC=C(C=C3)OC)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+]2CCC[C@H]2C3=CC=C(C=C3)OC)C4=CC=CC=C4

InChI

InChI=1S/C22H26N4OS/c1-3-25-21(18-8-5-4-6-9-18)23-26(22(25)28)16-24-15-7-10-20(24)17-11-13-19(27-2)14-12-17/h4-6,8-9,11-14,20H,3,7,10,15-16H2,1-2H3/p+1/t20-/m0/s1