N-[[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-[[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-[[3-(2-oxo-1-pyrrolidinyl)phenyl]methyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-[3-(2-ketopyrrolidino)benzyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=CC(=C2)CNC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=CC(=C2)CNC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

InChI

InChI=1S/C21H21N5O2S/c27-19-5-2-10-26(19)18-4-1-3-16(11-18)12-22-20(28)17-8-6-15(7-9-17)13-29-21-23-14-24-25-21/h1,3-4,6-9,11,14H,2,5,10,12-13H2,(H,22,28)(H,23,24,25)