1-[[5-[2-(2-ethanoylphenoxy)ethylsulfanyl]-4-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one

Systemtic Name: 1-[[5-[2-(2-ethanoylphenoxy)ethylsulfanyl]-4-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one Openeye Name: 1-[[5-[2-(2-acetylphenoxy)ethylsulfanyl]-4-(2-pyridyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one CAS Name: 1-[[5-[2-(2-acetylphenoxy)ethylthio]-4-(2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-2-pyrrolidinone IUPAC Name: 1-[[5-[2-(2-acetylphenoxy)ethylsulfanyl]-4-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one Traditional Name: 1-[[5-[2-(2-acetylphenoxy)ethylthio]-4-(2-pyridyl)-1,2,4-triazol-3-yl]methyl]-2-pyrrolidone Formula: C22H23N5O3S MolecularWeight: 437.51472

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1OCCSC2=NN=C(N2C3=CC=CC=N3)CN4CCCC4=O

Isomeric SMILES

CC(=O)C1=CC=CC=C1OCCSC2=NN=C(N2C3=CC=CC=N3)CN4CCCC4=O

InChI

InChI=1S/C22H23N5O3S/c1-16(28)17-7-2-3-8-18(17)30-13-14-31-22-25-24-20(15-26-12-6-10-21(26)29)27(22)19-9-4-5-11-23-19/h2-5,7-9,11H,6,10,12-15H2,1H3