5-(4-ethylphenyl)-2-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione

Systemtic Name: 5-(4-ethylphenyl)-2-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-(4-ethylphenyl)-2-[[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-(4-ethylphenyl)-2-[[(2S)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-(4-ethylphenyl)-2-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-(4-ethylphenyl)-2-[[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione Formula: C19H23N4S2+ MolecularWeight: 371.54272

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=S)N(N2)C[NH+]3CCCC3C4=CC=CS4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=S)N(N2)C[NH+]3CCC[C@H]3C4=CC=CS4

InChI

InChI=1S/C19H22N4S2/c1-2-14-7-9-15(10-8-14)18-20-19(24)23(21-18)13-22-11-3-5-16(22)17-6-4-12-25-17/h4,6-10,12,16H,2-3,5,11,13H2,1H3,(H,20,21,24)/p+1/t16-/m0/s1