pentyl 4-[2-[(5-oxidanylidene-6-phenyl-2H-1,2,4-triazin-3-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: pentyl 4-[2-[(5-oxidanylidene-6-phenyl-2H-1,2,4-triazin-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: pentyl 4-[[2-[(5-oxo-6-phenyl-2H-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(5-oxo-6-phenyl-2H-1,2,4-triazin-3-yl)thio]ethyl]amino]benzoic acid pentyl ester IUPAC Name: pentyl 4-[[2-[(5-oxo-6-phenyl-2H-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(5-keto-6-phenyl-2H-1,2,4-triazin-3-yl)thio]acetyl]amino]benzoic acid amyl ester Formula: C23H24N4O4S MolecularWeight: 452.52606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C(=NN2)C3=CC=CC=C3

Isomeric SMILES

CCCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C(=NN2)C3=CC=CC=C3

InChI

InChI=1S/C23H24N4O4S/c1-2-3-7-14-31-22(30)17-10-12-18(13-11-17)24-19(28)15-32-23-25-21(29)20(26-27-23)16-8-5-4-6-9-16/h4-6,8-13H,2-3,7,14-15H2,1H3,(H,24,28)(H,25,27,29)