methyl 2-[[5-[(2-oxidanylidenepyrrolidin-1-yl)methyl]-4-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanoate

Systemtic Name: methyl 2-[[5-[(2-oxidanylidenepyrrolidin-1-yl)methyl]-4-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: methyl 2-[[5-[(2-oxopyrrolidin-1-yl)methyl]-4-(2-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 2-[[5-[(2-oxo-1-pyrrolidinyl)methyl]-4-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 2-[[5-[(2-oxopyrrolidin-1-yl)methyl]-4-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 2-[[5-[(2-ketopyrrolidino)methyl]-4-(2-pyridyl)-1,2,4-triazol-3-yl]thio]propionic acid methyl ester Formula: C16H19N5O3S MolecularWeight: 361.41876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)SC1=NN=C(N1C2=CC=CC=N2)CN3CCCC3=O

Isomeric SMILES

CC(C(=O)OC)SC1=NN=C(N1C2=CC=CC=N2)CN3CCCC3=O

InChI

InChI=1S/C16H19N5O3S/c1-11(15(23)24-2)25-16-19-18-13(10-20-9-5-7-14(20)22)21(16)12-6-3-4-8-17-12/h3-4,6,8,11H,5,7,9-10H2,1-2H3