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

Systemtic Name: 5-(3-methylphenyl)-4-[2-oxidanylidene-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]-1,2,4-triazole-3-thiolate Openeye Name: 5-(m-tolyl)-4-[2-oxo-2-[(2S)-2-(2-thienyl)pyrrolidin-1-yl]ethyl]-1,2,4-triazole-3-thiolate CAS Name: 5-(3-methylphenyl)-4-[2-oxo-2-[(2S)-2-thiophen-2-yl-1-pyrrolidinyl]ethyl]-1,2,4-triazole-3-thiolate IUPAC Name: 5-(3-methylphenyl)-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-(m-tolyl)-1,2,4-triazole-3-thiolate Formula: C19H19N4OS2- MolecularWeight: 383.51036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2CC(=O)N3CCCC3C4=CC=CS4)[S-]

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2CC(=O)N3CCC[C@H]3C4=CC=CS4)[S-]

InChI

InChI=1S/C19H20N4OS2/c1-13-5-2-6-14(11-13)18-20-21-19(25)23(18)12-17(24)22-9-3-7-15(22)16-8-4-10-26-16/h2,4-6,8,10-11,15H,3,7,9,12H2,1H3,(H,21,25)/p-1/t15-/m0/s1