1-[[5-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-4-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one

Systemtic Name: 1-[[5-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-4-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one Openeye Name: 1-[[5-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-4-(2-pyridyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one CAS Name: 1-[[5-[(5-acetyl-2-methoxyphenyl)methylthio]-4-(2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-2-pyrrolidinone IUPAC Name: 1-[[5-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-4-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one Traditional Name: 1-[[5-[(5-acetyl-2-methoxy-benzyl)thio]-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(=C(C=C1)OC)CSC2=NN=C(N2C3=CC=CC=N3)CN4CCCC4=O

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NN=C(N2C3=CC=CC=N3)CN4CCCC4=O

InChI

InChI=1S/C22H23N5O3S/c1-15(28)16-8-9-18(30-2)17(12-16)14-31-22-25-24-20(13-26-11-5-7-21(26)29)27(22)19-6-3-4-10-23-19/h3-4,6,8-10,12H,5,7,11,13-14H2,1-2H3