1-[[5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-4-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one

Systemtic Name: 1-[[5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-4-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one Openeye Name: 1-[[5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-4-(2-pyridyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one CAS Name: 1-[[5-[[4-(1-pyrazolyl)phenyl]methylthio]-4-(2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-2-pyrrolidinone IUPAC Name: 1-[[5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-4-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one Traditional Name: 1-[[5-[(4-pyrazol-1-ylbenzyl)thio]-4-(2-pyridyl)-1,2,4-triazol-3-yl]methyl]-2-pyrrolidone Formula: C22H21N7OS MolecularWeight: 431.51344

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CC2=NN=C(N2C3=CC=CC=N3)SCC4=CC=C(C=C4)N5C=CC=N5

Isomeric SMILES

C1CC(=O)N(C1)CC2=NN=C(N2C3=CC=CC=N3)SCC4=CC=C(C=C4)N5C=CC=N5

InChI

InChI=1S/C22H21N7OS/c30-21-6-3-13-27(21)15-20-25-26-22(29(20)19-5-1-2-11-23-19)31-16-17-7-9-18(10-8-17)28-14-4-12-24-28/h1-2,4-5,7-12,14H,3,6,13,15-16H2