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

Systemtic Name: 4-(3-methylphenyl)-5-morpholin-4-yl-2-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 5-morpholino-4-(m-tolyl)-2-[[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4-(3-methylphenyl)-5-(4-morpholinyl)-2-[[(2S)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-(3-methylphenyl)-5-morpholin-4-yl-2-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 5-morpholino-4-(m-tolyl)-2-[[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C22H28N5OS2+ MolecularWeight: 442.62062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN(C2=S)C[NH+]3CCCC3C4=CC=CS4)N5CCOCC5

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN(C2=S)C[NH+]3CCC[C@H]3C4=CC=CS4)N5CCOCC5

InChI

InChI=1S/C22H27N5OS2/c1-17-5-2-6-18(15-17)27-21(24-10-12-28-13-11-24)23-26(22(27)29)16-25-9-3-7-19(25)20-8-4-14-30-20/h2,4-6,8,14-15,19H,3,7,9-13,16H2,1H3/p+1/t19-/m0/s1