2-[[4-methyl-5-[(2-oxidanylidene-4-phenyl-pyrrolidin-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[4-methyl-5-[(2-oxidanylidene-4-phenyl-pyrrolidin-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-methyl-5-[(2-oxo-4-phenyl-pyrrolidin-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-methyl-5-[(2-oxo-4-phenyl-1-pyrrolidinyl)methyl]-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-methyl-5-[(2-oxo-4-phenylpyrrolidin-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-[(2-keto-4-phenyl-pyrrolidino)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)O)CN2CC(CC2=O)C3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)O)CN2CC(CC2=O)C3=CC=CC=C3

InChI

InChI=1S/C16H18N4O3S/c1-19-13(17-18-16(19)24-10-15(22)23)9-20-8-12(7-14(20)21)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,22,23)