N-[[4-methyl-5-(2-methylpropylsulfanyl)-1,2,4-triazol-3-yl]methyl]-2-(2-oxidanylidene-4-phenyl-pyrrolidin-1-yl)ethanamide

Systemtic Name: N-[[4-methyl-5-(2-methylpropylsulfanyl)-1,2,4-triazol-3-yl]methyl]-2-(2-oxidanylidene-4-phenyl-pyrrolidin-1-yl)ethanamide Openeye Name: N-[(5-isobutylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(2-oxo-4-phenyl-pyrrolidin-1-yl)acetamide CAS Name: N-[[4-methyl-5-(2-methylpropylthio)-1,2,4-triazol-3-yl]methyl]-2-(2-oxo-4-phenyl-1-pyrrolidinyl)acetamide IUPAC Name: N-[[4-methyl-5-(2-methylpropylsulfanyl)-1,2,4-triazol-3-yl]methyl]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide Traditional Name: N-[[5-(isobutylthio)-4-methyl-1,2,4-triazol-3-yl]methyl]-2-(2-keto-4-phenyl-pyrrolidino)acetamide Formula: C20H27N5O2S MolecularWeight: 401.52568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NN=C(N1C)CNC(=O)CN2CC(CC2=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)CSC1=NN=C(N1C)CNC(=O)CN2CC(CC2=O)C3=CC=CC=C3

InChI

InChI=1S/C20H27N5O2S/c1-14(2)13-28-20-23-22-17(24(20)3)10-21-18(26)12-25-11-16(9-19(25)27)15-7-5-4-6-8-15/h4-8,14,16H,9-13H2,1-3H3,(H,21,26)