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

Systemtic Name: 5-cyclopropyl-4-phenyl-2-[[(2S)-2-pyridin-3-ylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 5-cyclopropyl-4-phenyl-2-[[(2S)-2-(3-pyridyl)pyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 5-cyclopropyl-4-phenyl-2-[[(2S)-2-(3-pyridinyl)-1-pyrrolidin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-cyclopropyl-4-phenyl-2-[[(2S)-2-pyridin-3-ylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 5-cyclopropyl-4-phenyl-2-[[(2S)-2-(3-pyridyl)pyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C21H24N5S+ MolecularWeight: 378.51376

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CN2C(=S)N(C(=N2)C3CC3)C4=CC=CC=C4)C5=CN=CC=C5

Isomeric SMILES

C1C[C@H]([NH+](C1)CN2C(=S)N(C(=N2)C3CC3)C4=CC=CC=C4)C5=CN=CC=C5

InChI

InChI=1S/C21H23N5S/c27-21-25(15-24-13-5-9-19(24)17-6-4-12-22-14-17)23-20(16-10-11-16)26(21)18-7-2-1-3-8-18/h1-4,6-8,12,14,16,19H,5,9-11,13,15H2/p+1/t19-/m0/s1