ethyl 6-[[5-[(2-oxidanylidenepyrrolidin-1-yl)methyl]-4-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[[5-[(2-oxidanylidenepyrrolidin-1-yl)methyl]-4-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carboxylate Openeye Name: ethyl 6-[[5-[(2-oxopyrrolidin-1-yl)methyl]-4-(2-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carboxylate CAS Name: 6-[[5-[(2-oxo-1-pyrrolidinyl)methyl]-4-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[[5-[(2-oxopyrrolidin-1-yl)methyl]-4-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carboxylate Traditional Name: 6-[[5-[(2-ketopyrrolidino)methyl]-4-(2-pyridyl)-1,2,4-triazol-3-yl]thio]nicotinic acid ethyl ester Formula: C20H20N6O3S MolecularWeight: 424.4762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)SC2=NN=C(N2C3=CC=CC=N3)CN4CCCC4=O

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)SC2=NN=C(N2C3=CC=CC=N3)CN4CCCC4=O

InChI

InChI=1S/C20H20N6O3S/c1-2-29-19(28)14-8-9-17(22-12-14)30-20-24-23-16(13-25-11-5-7-18(25)27)26(20)15-6-3-4-10-21-15/h3-4,6,8-10,12H,2,5,7,11,13H2,1H3