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

Systemtic Name: N-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-[4-(2-oxopyrrolidin-1-yl)phenyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-[4-(2-oxo-1-pyrrolidinyl)phenyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-[4-(2-oxopyrrolidin-1-yl)phenyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-[4-(2-ketopyrrolidino)phenyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C20H19N5O2S MolecularWeight: 393.46216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O2S/c26-18-2-1-11-25(18)17-9-7-16(8-10-17)23-19(27)15-5-3-14(4-6-15)12-28-20-21-13-22-24-20/h3-10,13H,1-2,11-12H2,(H,23,27)(H,21,22,24)