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

Systemtic Name: N-[[4-(2-methylpropyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-(2-oxidanylidenepyrrolidin-1-yl)benzamide Openeye Name: N-[(4-isobutyl-5-phenethylsulfanyl-1,2,4-triazol-3-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide CAS Name: N-[[4-(2-methylpropyl)-5-(phenethylthio)-1,2,4-triazol-3-yl]methyl]-3-(2-oxo-1-pyrrolidinyl)benzamide IUPAC Name: N-[[4-(2-methylpropyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide Traditional Name: N-[[4-isobutyl-5-(phenethylthio)-1,2,4-triazol-3-yl]methyl]-3-(2-ketopyrrolidino)benzamide Formula: C26H31N5O2S MolecularWeight: 477.62164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SCCC2=CC=CC=C2)CNC(=O)C3=CC(=CC=C3)N4CCCC4=O

Isomeric SMILES

CC(C)CN1C(=NN=C1SCCC2=CC=CC=C2)CNC(=O)C3=CC(=CC=C3)N4CCCC4=O

InChI

InChI=1S/C26H31N5O2S/c1-19(2)18-31-23(28-29-26(31)34-15-13-20-8-4-3-5-9-20)17-27-25(33)21-10-6-11-22(16-21)30-14-7-12-24(30)32/h3-6,8-11,16,19H,7,12-15,17-18H2,1-2H3,(H,27,33)