N-(2-methylpropyl)-2-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzamide

Systemtic Name: N-(2-methylpropyl)-2-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzamide Openeye Name: N-isobutyl-2-[[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide CAS Name: N-(2-methylpropyl)-2-[[1-oxo-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]ethyl]amino]benzamide IUPAC Name: N-(2-methylpropyl)-2-[[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide Traditional Name: N-isobutyl-2-[[2-[(4-phenyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzamide Formula: C21H23N5O2S MolecularWeight: 409.50462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=CN2C3=CC=CC=C3

Isomeric SMILES

CC(C)CNC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=CN2C3=CC=CC=C3

InChI

InChI=1S/C21H23N5O2S/c1-15(2)12-22-20(28)17-10-6-7-11-18(17)24-19(27)13-29-21-25-23-14-26(21)16-8-4-3-5-9-16/h3-11,14-15H,12-13H2,1-2H3,(H,22,28)(H,24,27)