N-(3-chlorophenyl)-3-[[5-[(2-oxidanylidenepyrrolidin-1-yl)methyl]-4-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-(3-chlorophenyl)-3-[[5-[(2-oxidanylidenepyrrolidin-1-yl)methyl]-4-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(3-chlorophenyl)-3-[[5-[(2-oxopyrrolidin-1-yl)methyl]-4-(2-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(3-chlorophenyl)-3-[[5-[(2-oxo-1-pyrrolidinyl)methyl]-4-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(3-chlorophenyl)-3-[[5-[(2-oxopyrrolidin-1-yl)methyl]-4-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(3-chlorophenyl)-3-[[5-[(2-ketopyrrolidino)methyl]-4-(2-pyridyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C21H21ClN6O2S MolecularWeight: 456.94844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CC2=NN=C(N2C3=CC=CC=N3)SCCC(=O)NC4=CC(=CC=C4)Cl

Isomeric SMILES

C1CC(=O)N(C1)CC2=NN=C(N2C3=CC=CC=N3)SCCC(=O)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H21ClN6O2S/c22-15-5-3-6-16(13-15)24-19(29)9-12-31-21-26-25-18(14-27-11-4-8-20(27)30)28(21)17-7-1-2-10-23-17/h1-3,5-7,10,13H,4,8-9,11-12,14H2,(H,24,29)