5-(4-methoxyphenyl)-4-[2-oxidanylidene-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]-1,2,4-triazole-3-thiolate

Systemtic Name: 5-(4-methoxyphenyl)-4-[2-oxidanylidene-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]-1,2,4-triazole-3-thiolate Openeye Name: 5-(4-methoxyphenyl)-4-[2-oxo-2-[(2S)-2-(2-thienyl)pyrrolidin-1-yl]ethyl]-1,2,4-triazole-3-thiolate CAS Name: 5-(4-methoxyphenyl)-4-[2-oxo-2-[(2S)-2-thiophen-2-yl-1-pyrrolidinyl]ethyl]-1,2,4-triazole-3-thiolate IUPAC Name: 5-(4-methoxyphenyl)-4-[2-oxo-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]-1,2,4-triazole-3-thiolate Traditional Name: 4-[2-keto-2-[(2S)-2-(2-thienyl)pyrrolidino]ethyl]-5-(4-methoxyphenyl)-1,2,4-triazole-3-thiolate Formula: C19H19N4O2S2- MolecularWeight: 399.50976

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2CC(=O)N3CCCC3C4=CC=CS4)[S-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2CC(=O)N3CCC[C@H]3C4=CC=CS4)[S-]

InChI

InChI=1S/C19H20N4O2S2/c1-25-14-8-6-13(7-9-14)18-20-21-19(26)23(18)12-17(24)22-10-2-4-15(22)16-5-3-11-27-16/h3,5-9,11,15H,2,4,10,12H2,1H3,(H,21,26)/p-1/t15-/m0/s1