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

Systemtic Name: 1-[[5-[2-(4-bromanylphenoxy)ethylsulfanyl]-4-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one Openeye Name: 1-[[5-[2-(4-bromophenoxy)ethylsulfanyl]-4-(2-pyridyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one CAS Name: 1-[[5-[2-(4-bromophenoxy)ethylthio]-4-(2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-2-pyrrolidinone IUPAC Name: 1-[[5-[2-(4-bromophenoxy)ethylsulfanyl]-4-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one Traditional Name: 1-[[5-[2-(4-bromophenoxy)ethylthio]-4-(2-pyridyl)-1,2,4-triazol-3-yl]methyl]-2-pyrrolidone Formula: C20H20BrN5O2S MolecularWeight: 474.3741

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CC2=NN=C(N2C3=CC=CC=N3)SCCOC4=CC=C(C=C4)Br

Isomeric SMILES

C1CC(=O)N(C1)CC2=NN=C(N2C3=CC=CC=N3)SCCOC4=CC=C(C=C4)Br

InChI

InChI=1S/C20H20BrN5O2S/c21-15-6-8-16(9-7-15)28-12-13-29-20-24-23-18(14-25-11-3-5-19(25)27)26(20)17-4-1-2-10-22-17/h1-2,4,6-10H,3,5,11-14H2