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

Systemtic Name: butyl 3-[2-[(5-oxidanylidene-6-phenyl-2H-1,2,4-triazin-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: butyl 3-[[2-[(5-oxo-6-phenyl-2H-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[1-oxo-2-[(5-oxo-6-phenyl-2H-1,2,4-triazin-3-yl)thio]ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 3-[[2-[(5-oxo-6-phenyl-2H-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(5-keto-6-phenyl-2H-1,2,4-triazin-3-yl)thio]acetyl]amino]benzoic acid butyl ester Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O4S/c1-2-3-12-30-21(29)16-10-7-11-17(13-16)23-18(27)14-31-22-24-20(28)19(25-26-22)15-8-5-4-6-9-15/h4-11,13H,2-3,12,14H2,1H3,(H,23,27)(H,24,26,28)