N-[[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-(2-oxidanylidenepyrrolidin-1-yl)benzamide

Systemtic Name: N-[[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-(2-oxidanylidenepyrrolidin-1-yl)benzamide Openeye Name: N-[[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide CAS Name: N-[[4-(4-methoxyphenyl)-5-(methylthio)-1,2,4-triazol-3-yl]methyl]-3-(2-oxo-1-pyrrolidinyl)benzamide IUPAC Name: N-[[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide Traditional Name: 3-(2-ketopyrrolidino)-N-[[4-(4-methoxyphenyl)-5-(methylthio)-1,2,4-triazol-3-yl]methyl]benzamide Formula: C22H23N5O3S MolecularWeight: 437.51472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SC)CNC(=O)C3=CC(=CC=C3)N4CCCC4=O

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SC)CNC(=O)C3=CC(=CC=C3)N4CCCC4=O

InChI

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