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

Systemtic Name: 4,5-diphenyl-2-[[(3S)-3-phenylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4,5-diphenyl-2-[[(3S)-3-phenylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4,5-diphenyl-2-[[(3S)-3-phenyl-1-pyrrolidin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4,5-diphenyl-2-[[(3S)-3-phenylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4,5-diphenyl-2-[[(3S)-3-phenylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C25H25N4S+ MolecularWeight: 413.5578

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1C2=CC=CC=C2)CN3C(=S)N(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C[NH+](C[C@@H]1C2=CC=CC=C2)CN3C(=S)N(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H24N4S/c30-25-28(19-27-17-16-22(18-27)20-10-4-1-5-11-20)26-24(21-12-6-2-7-13-21)29(25)23-14-8-3-9-15-23/h1-15,22H,16-19H2/p+1/t22-/m1/s1