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

Systemtic Name: 4-phenyl-5-pyridin-3-yl-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4-phenyl-5-(3-pyridyl)-2-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4-phenyl-5-(3-pyridinyl)-2-[[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-phenyl-5-pyridin-3-yl-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4-phenyl-5-(3-pyridyl)-2-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C22H22N5S2+ MolecularWeight: 420.57358

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CN2C(=S)N(C(=N2)C3=CN=CC=C3)C4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

C1C[C@@H]([NH+](C1)CN2C(=S)N(C(=N2)C3=CN=CC=C3)C4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C22H21N5S2/c28-22-26(16-25-13-5-10-19(25)20-11-6-14-29-20)24-21(17-7-4-12-23-15-17)27(22)18-8-2-1-3-9-18/h1-4,6-9,11-12,14-15,19H,5,10,13,16H2/p+1/t19-/m1/s1