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

Systemtic Name: hexyl 4-[2-[(5-oxidanylidene-6-phenyl-2H-1,2,4-triazin-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: hexyl 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 hexyl ester IUPAC Name: hexyl 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 hexyl ester Formula: C24H26N4O4S MolecularWeight: 466.55264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N4O4S/c1-2-3-4-8-15-32-23(31)18-11-13-19(14-12-18)25-20(29)16-33-24-26-22(30)21(27-28-24)17-9-6-5-7-10-17/h5-7,9-14H,2-4,8,15-16H2,1H3,(H,25,29)(H,26,28,30)