methyl (2S,4R)-4-oxidanyl-1-[(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4R)-4-oxidanyl-1-[(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4R)-4-hydroxy-1-[(5-phenyl-3-thioxo-1H-1,2,4-triazol-2-yl)methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4R)-4-hydroxy-1-[(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-4-hydroxy-1-[(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4R)-4-hydroxy-1-[(5-phenyl-3-thioxo-1H-1,2,4-triazol-2-yl)methyl]pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C15H19N4O3S+ MolecularWeight: 335.40136

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(C[NH+]1CN2C(=S)N=C(N2)C3=CC=CC=C3)O

Isomeric SMILES

COC(=O)[C@@H]1C[C@H](C[NH+]1CN2C(=S)N=C(N2)C3=CC=CC=C3)O

InChI

InChI=1S/C15H18N4O3S/c1-22-14(21)12-7-11(20)8-18(12)9-19-15(23)16-13(17-19)10-5-3-2-4-6-10/h2-6,11-12,20H,7-9H2,1H3,(H,16,17,23)/p+1/t11-,12+/m1/s1