5-(4-methoxyphenyl)-2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-4-propan-2-yl-1,2,4-triazole-3-thione

Systemtic Name: 5-(4-methoxyphenyl)-2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-4-propan-2-yl-1,2,4-triazole-3-thione Openeye Name: 4-isopropyl-5-(4-methoxyphenyl)-2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 5-(4-methoxyphenyl)-2-[[(2S)-2-phenyl-1-pyrrolidin-1-iumyl]methyl]-4-propan-2-yl-1,2,4-triazole-3-thione IUPAC Name: 5-(4-methoxyphenyl)-2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-4-propan-2-yl-1,2,4-triazole-3-thione Traditional Name: 4-isopropyl-5-(4-methoxyphenyl)-2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C23H29N4OS+ MolecularWeight: 409.56756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN(C1=S)C[NH+]2CCCC2C3=CC=CC=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)N1C(=NN(C1=S)C[NH+]2CCC[C@H]2C3=CC=CC=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H28N4OS/c1-17(2)27-22(19-11-13-20(28-3)14-12-19)24-26(23(27)29)16-25-15-7-10-21(25)18-8-5-4-6-9-18/h4-6,8-9,11-14,17,21H,7,10,15-16H2,1-3H3/p+1/t21-/m0/s1