5-[[3-(2-oxidanylidenepyrrolidin-1-yl)phenoxy]methyl]-4-propan-2-yl-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[[3-(2-oxidanylidenepyrrolidin-1-yl)phenoxy]methyl]-4-propan-2-yl-1,2,4-triazole-3-thiolate Openeye Name: 4-isopropyl-5-[[3-(2-oxopyrrolidin-1-yl)phenoxy]methyl]-1,2,4-triazole-3-thiolate CAS Name: 5-[[3-(2-oxo-1-pyrrolidinyl)phenoxy]methyl]-4-propan-2-yl-1,2,4-triazole-3-thiolate IUPAC Name: 5-[[3-(2-oxopyrrolidin-1-yl)phenoxy]methyl]-4-propan-2-yl-1,2,4-triazole-3-thiolate Traditional Name: 4-isopropyl-5-[[3-(2-ketopyrrolidino)phenoxy]methyl]-1,2,4-triazole-3-thiolate Formula: C16H19N4O2S- MolecularWeight: 331.41266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1[S-])COC2=CC=CC(=C2)N3CCCC3=O

Isomeric SMILES

CC(C)N1C(=NN=C1[S-])COC2=CC=CC(=C2)N3CCCC3=O

InChI

InChI=1S/C16H20N4O2S/c1-11(2)20-14(17-18-16(20)23)10-22-13-6-3-5-12(9-13)19-8-4-7-15(19)21/h3,5-6,9,11H,4,7-8,10H2,1-2H3,(H,18,23)/p-1