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

Systemtic Name: 4-methyl-2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 4-methyl-2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-methyl-2-[[(2S)-2-phenyl-1-pyrrolidin-1-iumyl]methyl]-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 4-methyl-2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 4-methyl-2-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C19H22N5S+ MolecularWeight: 352.47648

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCCC2C3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCC[C@H]2C3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C19H21N5S/c1-22-18(16-9-5-11-20-13-16)21-24(19(22)25)14-23-12-6-10-17(23)15-7-3-2-4-8-15/h2-5,7-9,11,13,17H,6,10,12,14H2,1H3/p+1/t17-/m0/s1