4-[3-oxidanylidene-3-[[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]amino]propyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-[3-oxidanylidene-3-[[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]amino]propyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate Openeye Name: 4-[3-oxo-3-[[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]amino]propyl]-5-(2-thienyl)-1,2,4-triazole-3-thiolate CAS Name: 4-[3-oxo-3-[[(2R)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]amino]propyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate IUPAC Name: 4-[3-oxo-3-[[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]amino]propyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate Traditional Name: 4-[3-keto-3-[[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]amino]propyl]-5-(2-thienyl)-1,2,4-triazole-3-thiolate Formula: C21H25N5OS2 MolecularWeight: 427.5861

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)CCN2C(=NN=C2[S-])C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)CCN2C(=NN=C2[S-])C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C21H25N5OS2/c27-19(10-13-26-20(23-24-21(26)28)18-9-6-14-29-18)22-15-17(25-11-4-5-12-25)16-7-2-1-3-8-16/h1-3,6-9,14,17H,4-5,10-13,15H2,(H,22,27)(H,24,28)/t17-/m0/s1