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

Systemtic Name: 4-(2-methylphenyl)-5-pyridin-3-yl-2-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4-(o-tolyl)-5-(3-pyridyl)-2-[[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4-(2-methylphenyl)-5-(3-pyridinyl)-2-[[(2S)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-(2-methylphenyl)-5-pyridin-3-yl-2-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4-(o-tolyl)-5-(3-pyridyl)-2-[[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C23H24N5S2+ MolecularWeight: 434.60016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN(C2=S)C[NH+]3CCCC3C4=CC=CS4)C5=CN=CC=C5

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN(C2=S)C[NH+]3CCC[C@H]3C4=CC=CS4)C5=CN=CC=C5

InChI

InChI=1S/C23H23N5S2/c1-17-7-2-3-9-19(17)28-22(18-8-4-12-24-15-18)25-27(23(28)29)16-26-13-5-10-20(26)21-11-6-14-30-21/h2-4,6-9,11-12,14-15,20H,5,10,13,16H2,1H3/p+1/t20-/m0/s1